1-[(2,4-dichlorophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,4-dichlorophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(2,6-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(2,6-dimethoxyphenyl)methyl]nipecotic acid Formula: C21H23Cl2NO4 MolecularWeight: 424.31762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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