IZ7

(4E)-6-(5-methoxy-3,6,7-trimethyl-1,2-benzoxazol-4-yl)-4-methylhex-4-enoic acid

Created:	2023-05-05
Last modified:	2023-06-14

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2 entries where IZ7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	10

2D diagram of IZ7

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Chemical Component Summary
Name	(4E)-6-(5-methoxy-3,6,7-trimethyl-1,2-benzoxazol-4-yl)-4-methylhex-4-enoic acid
Systematic Name (OpenEye OEToolkits)	(~{E})-6-(5-methoxy-3,6,7-trimethyl-1,2-benzoxazol-4-yl)-4-methyl-hex-4-enoic acid
Formula	C₁₈ H₂₃ N O₄
Molecular Weight	317.38
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCC(\C)=C\Cc1c(OC)c(C)c(C)c2onc(C)c12
SMILES	CACTVS	3.385	COc1c(C)c(C)c2onc(C)c2c1CC=C(C)CCC(O)=O
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c(c2c1onc2C)CC=C(C)CCC(=O)O)OC)C
Canonical SMILES	CACTVS	3.385	COc1c(C)c(C)c2onc(C)c2c1C\C=C(C)\CCC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c(c2c1onc2C)C/C=C(\C)/CCC(=O)O)OC)C
InChI	InChI	1.06	InChI=1S/C18H23NO4/c1-10(7-9-15(20)21)6-8-14-16-13(4)19-23-18(16)12(3)11(2)17(14)22-5/h6H,7-9H2,1-5H3,(H,20,21)/b10-6+
InChIKey	InChI	1.06	UXESCOKZPLKWGE-UXBLZVDNSA-N

Related Resource References

Resource Name	Reference
PubChem	168300856

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.