2CJ

(1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid

Created:2010-07-30
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count0
Bond Count66
Aromatic Bond Count12
2D diagram of 2CJ

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Chemical Component Summary

Name(1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid
Systematic Name (OpenEye OEToolkits)2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]cyclopentyl]ethanoic acid
FormulaC26 H32 N2 O3
Molecular Weight420.544
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CC1(CCCC1)CC(=O)N4CCN(C(c2ccccc2)c3ccccc3)CC4
SMILESCACTVS3.370OC(=O)CC1(CCCC1)CC(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)C(=O)CC4(CCCC4)CC(=O)O
Canonical SMILESCACTVS3.370 OC(=O)CC1(CCCC1)CC(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4
Canonical SMILESOpenEye OEToolkits1.7.0 c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)C(=O)CC4(CCCC4)CC(=O)O
InChIInChI1.03 InChI=1S/C26H32N2O3/c29-23(19-26(20-24(30)31)13-7-8-14-26)27-15-17-28(18-16-27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,25H,7-8,13-20H2,(H,30,31)
InChIKeyInChI1.03 GLJDWAQYHLAMPV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 7140385, 2809698