4-[2-[[(4-methylphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[2-[[(4-methylphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-oxo-2-[[[2-(1-piperidyl)phenyl]-(p-tolyl)methyl]amino]ethyl]benzoic acid CAS Name: 4-[2-[[(4-methylphenyl)-[2-(1-piperidinyl)phenyl]methyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-[[(4-methylphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-keto-2-[[(2-piperidinophenyl)-(p-tolyl)methyl]amino]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)NC(=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2N3CCCCC3)NC(=O)CC4=CC=C(C=C4)C(=O)O

InChI

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