1-[(2,4-dimethylphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,4-dimethylphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dimethylphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dimethylphenyl)-(2-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethylphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dimethylphenyl)-(2-methoxyphenyl)methyl]isonipecotic acid Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC=CC=C2OC)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC=CC=C2OC)N3CCC(CC3)C(=O)O)C

InChI

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