1-[(2-methylphenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-methylphenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[o-tolyl-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methylphenyl)-(3-phenoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[o-tolyl-(3-phenoxyphenyl)methyl]isonipecotic acid Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C26H27NO3/c1-19-8-5-6-13-24(19)25(27-16-14-20(15-17-27)26(28)29)21-9-7-12-23(18-21)30-22-10-3-2-4-11-22/h2-13,18,20,25H,14-17H2,1H3,(H,28,29)