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

Systemtic Name: 1-[(3-methylphenyl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[m-tolyl-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-methylphenyl)-(3-phenoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[m-tolyl-(3-phenoxyphenyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCCC4C(=O)O

InChI

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