1-[(2,5-dimethylphenyl)-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,5-dimethylphenyl)-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-(4-methoxyphenyl)methyl]nipecotic acid Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3/c1-15-6-7-16(2)20(13-15)21(17-8-10-19(26-3)11-9-17)23-12-4-5-18(14-23)22(24)25/h6-11,13,18,21H,4-5,12,14H2,1-3H3,(H,24,25)