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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(2-methoxyphenyl)methyl]nipecotic acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=CC=C2OC)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=CC=C2OC)N3CCCC(C3)C(=O)O)OC

InChI

InChI=1S/C22H27NO5/c1-26-18-9-5-4-8-17(18)21(23-12-6-7-16(14-23)22(24)25)15-10-11-19(27-2)20(13-15)28-3/h4-5,8-11,13,16,21H,6-7,12,14H2,1-3H3,(H,24,25)