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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CCCC(C3)C(=O)O

InChI

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