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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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