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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCCC3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCCC3C(=O)O)OC

InChI

InChI=1S/C21H23Cl2NO4/c1-27-18-9-7-14(12-19(18)28-2)20(13-6-8-15(22)16(23)11-13)24-10-4-3-5-17(24)21(25)26/h6-9,11-12,17,20H,3-5,10H2,1-2H3,(H,25,26)