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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(4-dimethylaminophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(4-dimethylaminophenyl)methyl]isonipecotic acid Formula: C21H24Cl2N2O2 MolecularWeight: 407.33346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24Cl2N2O2/c1-24(2)17-6-3-14(4-7-17)20(18-8-5-16(22)13-19(18)23)25-11-9-15(10-12-25)21(26)27/h3-8,13,15,20H,9-12H2,1-2H3,(H,26,27)