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

Systemtic Name: 1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)-(o-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methoxyphenyl)-(o-tolyl)methyl]nipecotic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC(=CC=C2)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC(=CC=C2)OC)N3CCCC(C3)C(=O)O

InChI

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