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

Systemtic Name: 1-[(3-methoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)-(m-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-(3-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methoxyphenyl)-(m-tolyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

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