1-[(4-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-methoxyphenyl)-(o-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-methoxyphenyl)-(2-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

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