4-[2-[2-(4-methyl-3-oxidanyl-4-phenyl-pentyl)-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2-(4-methyl-3-oxidanyl-4-phenyl-pentyl)-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-(3-hydroxy-4-methyl-4-phenyl-pentyl)-5-oxo-pyrrolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-(3-hydroxy-4-methyl-4-phenylpentyl)-5-oxo-1-pyrrolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-(3-hydroxy-4-methyl-4-phenylpentyl)-5-oxopyrrolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-(3-hydroxy-4-methyl-4-phenyl-pentyl)-5-keto-pyrrolidino]ethyl]benzoic acid Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(CCC2CCC(=O)N2CCC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(CCC2CCC(=O)N2CCC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C25H31NO4/c1-25(2,20-6-4-3-5-7-20)22(27)14-12-21-13-15-23(28)26(21)17-16-18-8-10-19(11-9-18)24(29)30/h3-11,21-22,27H,12-17H2,1-2H3,(H,29,30)