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

Systemtic Name: 1-[(4-methylphenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-phenoxyphenyl)-(p-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-methylphenyl)-(3-phenoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylphenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-phenoxyphenyl)-(p-tolyl)methyl]isonipecotic 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)N4CCC(CC4)C(=O)O

Isomeric SMILES

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

InChI

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