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

Systemtic Name: 1-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]nipecotic acid Formula: C21H23Cl2NO2 MolecularWeight: 392.31882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O)C

InChI

InChI=1S/C21H23Cl2NO2/c1-13-5-7-17(14(2)10-13)20(15-6-8-18(22)19(23)11-15)24-9-3-4-16(12-24)21(25)26/h5-8,10-11,16,20H,3-4,9,12H2,1-2H3,(H,25,26)