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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

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