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

Systemtic Name: 1-[(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]nipecotic acid Formula: C21H23Cl2NO4 MolecularWeight: 424.31762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H23Cl2NO4/c1-27-18-7-3-6-15(20(18)28-2)19(13-8-9-16(22)17(23)11-13)24-10-4-5-14(12-24)21(25)26/h3,6-9,11,14,19H,4-5,10,12H2,1-2H3,(H,25,26)