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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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