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

Systemtic Name: 4-[2-[[(2-methylphenyl)-phenyl-piperidin-1-yl-methyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-[[o-tolyl-phenyl-(1-piperidyl)methyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-[[(2-methylphenyl)-phenyl-(1-piperidinyl)methyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-[[(2-methylphenyl)-phenyl-piperidin-1-ylmethyl]amino]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-keto-2-[(o-tolyl-phenyl-piperidino-methyl)amino]ethyl]benzoic acid Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)(NC(=O)CC3=CC=C(C=C3)C(=O)O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)(NC(=O)CC3=CC=C(C=C3)C(=O)O)N4CCCCC4

InChI

InChI=1S/C28H30N2O3/c1-21-10-6-7-13-25(21)28(24-11-4-2-5-12-24,30-18-8-3-9-19-30)29-26(31)20-22-14-16-23(17-15-22)27(32)33/h2,4-7,10-17H,3,8-9,18-20H2,1H3,(H,29,31)(H,32,33)