4-[2-[[(3-methylphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[2-[[(3-methylphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-[[m-tolyl-[2-(1-piperidyl)phenyl]methyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-[[(3-methylphenyl)-[2-(1-piperidinyl)phenyl]methyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-[[(3-methylphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-keto-2-[[m-tolyl-(2-piperidinophenyl)methyl]amino]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)NC(=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

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

InChI

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