1-[4-[(4-cyclohexylphenyl)carbonyl-methyl-amino]phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[4-[(4-cyclohexylphenyl)carbonyl-methyl-amino]phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: 1-[4-[(4-cyclohexylbenzoyl)-methyl-amino]phenyl]-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: 1-[4-[[(4-cyclohexylphenyl)-oxomethyl]-methylamino]phenyl]-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[(4-cyclohexylbenzoyl)-methylamino]phenyl]-5-oxopyrrolidine-3-carboxylic acid Traditional Name: 1-[4-[(4-cyclohexylbenzoyl)-methyl-amino]phenyl]-5-keto-pyrrolidine-3-carboxylic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)N2CC(CC2=O)C(=O)O)C(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CN(C1=CC=C(C=C1)N2CC(CC2=O)C(=O)O)C(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C25H28N2O4/c1-26(24(29)19-9-7-18(8-10-19)17-5-3-2-4-6-17)21-11-13-22(14-12-21)27-16-20(25(30)31)15-23(27)28/h7-14,17,20H,2-6,15-16H2,1H3,(H,30,31)