1-[(3,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]isonipecotic acid Formula: C21H23Cl2NO2 MolecularWeight: 392.31882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC(=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC(=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H23Cl2NO2/c1-13-3-4-14(2)17(11-13)20(16-5-6-18(22)19(23)12-16)24-9-7-15(8-10-24)21(25)26/h3-6,11-12,15,20H,7-10H2,1-2H3,(H,25,26)