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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O)OC

InChI

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