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

Systemtic Name: 1-[(2-methylphenyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[o-tolyl-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-methylphenyl)-(3-phenoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[o-tolyl-(3-phenoxyphenyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

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