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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=CC=C2OC)N3CCCCC3C(=O)O)C

InChI

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