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

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

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

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