1-[(3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]nipecotic acid Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=CC=C2OC)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=CC=C2OC)N3CCCC(C3)C(=O)O)C

InChI

InChI=1S/C22H27NO3/c1-15-11-16(2)13-18(12-15)21(19-8-4-5-9-20(19)26-3)23-10-6-7-17(14-23)22(24)25/h4-5,8-9,11-13,17,21H,6-7,10,14H2,1-3H3,(H,24,25)