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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(2,4-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(C2=C(C=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

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

InChI

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