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

Systemtic Name: 4-[1-azanyl-3-(4-methylphenyl)-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)propan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[2-(1-piperidyl)phenyl]-2-(p-tolyl)ethyl]benzoic acid CAS Name: 4-[1-amino-3-(4-methylphenyl)-1-oxo-3-[2-(1-piperidinyl)phenyl]propan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(4-methylphenyl)-1-oxo-3-(2-piperidin-1-ylphenyl)propan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(2-piperidinophenyl)-2-(p-tolyl)ethyl]benzoic acid Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2N3CCCCC3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2N3CCCCC3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

InChI

InChI=1S/C28H30N2O3/c1-19-9-11-20(12-10-19)25(23-7-3-4-8-24(23)30-17-5-2-6-18-30)26(27(29)31)21-13-15-22(16-14-21)28(32)33/h3-4,7-16,25-26H,2,5-6,17-18H2,1H3,(H2,29,31)(H,32,33)