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

Systemtic Name: 1-[(4-bromophenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3,5-dimethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(3,5-dimethylphenyl)methyl]isonipecotic acid Formula: C21H24BrNO2 MolecularWeight: 402.32476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO2/c1-14-11-15(2)13-18(12-14)20(16-3-5-19(22)6-4-16)23-9-7-17(8-10-23)21(24)25/h3-6,11-13,17,20H,7-10H2,1-2H3,(H,24,25)