4-[1-azanyl-1-oxidanylidene-3-phenyl-3-(2-pyrrolidin-1-ylphenyl)propan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-1-oxidanylidene-3-phenyl-3-(2-pyrrolidin-1-ylphenyl)propan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-phenyl-2-(2-pyrrolidin-1-ylphenyl)ethyl]benzoic acid CAS Name: 4-[1-amino-1-oxo-3-phenyl-3-[2-(1-pyrrolidinyl)phenyl]propan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-1-oxo-3-phenyl-3-(2-pyrrolidin-1-ylphenyl)propan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-phenyl-2-(2-pyrrolidinophenyl)ethyl]benzoic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2C(C3=CC=CC=C3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2C(C3=CC=CC=C3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

InChI

InChI=1S/C26H26N2O3/c27-25(29)24(19-12-14-20(15-13-19)26(30)31)23(18-8-2-1-3-9-18)21-10-4-5-11-22(21)28-16-6-7-17-28/h1-5,8-15,23-24H,6-7,16-17H2,(H2,27,29)(H,30,31)