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

Systemtic Name: 1-[(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H23Cl2NO4/c1-27-18-8-5-6-14(20(18)28-2)19(13-9-10-15(22)16(23)12-13)24-11-4-3-7-17(24)21(25)26/h5-6,8-10,12,17,19H,3-4,7,11H2,1-2H3,(H,25,26)