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

Systemtic Name: 1-[(3-methoxyphenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)-(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-(3-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methoxyphenyl)-(m-tolyl)methyl]isonipecotic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC(=CC=C2)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC(=CC=C2)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H25NO3/c1-15-5-3-6-17(13-15)20(18-7-4-8-19(14-18)25-2)22-11-9-16(10-12-22)21(23)24/h3-8,13-14,16,20H,9-12H2,1-2H3,(H,23,24)