SLG
2-chloranyl-4-[2-[[(6-chloranyl-1~{H}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid
Created: | 2020-03-11 |
Last modified: | 2021-05-12 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 49 |
Chiral Atom Count | 0 |
Bond Count | 52 |
Aromatic Bond Count | 22 |
Chemical Component Summary | |
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Name | 2-chloranyl-4-[2-[[(6-chloranyl-1~{H}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid |
Systematic Name (OpenEye OEToolkits) | 2-chloranyl-4-[2-[[(6-chloranyl-1~{H}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid |
Formula | C24 H17 Cl2 F N2 O3 |
Molecular Weight | 471.308 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CN(Cc1ccc(F)cc1c2ccc(C(O)=O)c(Cl)c2)C(=O)c3[nH]c4cc(Cl)ccc4c3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(Cc1ccc(cc1c2ccc(c(c2)Cl)C(=O)O)F)C(=O)c3cc4ccc(cc4[nH]3)Cl |
Canonical SMILES | CACTVS | 3.385 | CN(Cc1ccc(F)cc1c2ccc(C(O)=O)c(Cl)c2)C(=O)c3[nH]c4cc(Cl)ccc4c3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CN(Cc1ccc(cc1c2ccc(c(c2)Cl)C(=O)O)F)C(=O)c3cc4ccc(cc4[nH]3)Cl |
InChI | InChI | 1.03 | InChI=1S/C24H17Cl2FN2O3/c1-29(23(30)22-9-14-2-5-16(25)10-21(14)28-22)12-15-3-6-17(27)11-19(15)13-4-7-18(24(31)32)20(26)8-13/h2-11,28H,12H2,1H3,(H,31,32) |
InChIKey | InChI | 1.03 | QAUQVYLGWNNTGX-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 155907493 |