3-[2-chloranyl-4-[(1-cyclohexyl-2-oxidanylidene-pyrrolidin-3-yl)methyl]phenyl]benzoic acid

Systemtic Name: 3-[2-chloranyl-4-[(1-cyclohexyl-2-oxidanylidene-pyrrolidin-3-yl)methyl]phenyl]benzoic acid Openeye Name: 3-[2-chloro-4-[(1-cyclohexyl-2-oxo-pyrrolidin-3-yl)methyl]phenyl]benzoic acid CAS Name: 3-[2-chloro-4-[(1-cyclohexyl-2-oxo-3-pyrrolidinyl)methyl]phenyl]benzoic acid IUPAC Name: 3-[2-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]benzoic acid Traditional Name: 3-[2-chloro-4-[(1-cyclohexyl-2-keto-pyrrolidin-3-yl)methyl]phenyl]benzoic acid Formula: C24H26ClNO3 MolecularWeight: 411.92114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCC(C2=O)CC3=CC(=C(C=C3)C4=CC(=CC=C4)C(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)N2CCC(C2=O)CC3=CC(=C(C=C3)C4=CC(=CC=C4)C(=O)O)Cl

InChI

InChI=1S/C24H26ClNO3/c25-22-14-16(9-10-21(22)17-5-4-6-19(15-17)24(28)29)13-18-11-12-26(23(18)27)20-7-2-1-3-8-20/h4-6,9-10,14-15,18,20H,1-3,7-8,11-13H2,(H,28,29)