2-[(E)-2-(2-methylphenyl)-2-phenyl-ethenyl]-1-(2-oxidanylideneethyl)piperidine-3-carboxylic acid

Systemtic Name: 2-[(E)-2-(2-methylphenyl)-2-phenyl-ethenyl]-1-(2-oxidanylideneethyl)piperidine-3-carboxylic acid Openeye Name: 2-[(E)-2-(o-tolyl)-2-phenyl-vinyl]-1-(2-oxoethyl)piperidine-3-carboxylic acid CAS Name: 2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]-1-(2-oxoethyl)-3-piperidinecarboxylic acid IUPAC Name: 2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]-1-(2-oxoethyl)piperidine-3-carboxylic acid Traditional Name: 1-(2-ketoethyl)-2-[(E)-2-(o-tolyl)-2-phenyl-vinyl]nipecotic acid Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=CC2C(CCCN2CC=O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1/C(=C/C2C(CCCN2CC=O)C(=O)O)/C3=CC=CC=C3

InChI

InChI=1S/C23H25NO3/c1-17-8-5-6-11-19(17)21(18-9-3-2-4-10-18)16-22-20(23(26)27)12-7-13-24(22)14-15-25/h2-6,8-11,15-16,20,22H,7,12-14H2,1H3,(H,26,27)/b21-16+