1-[(3-bromophenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(4-phenylphenyl)methyl]nipecotic acid Formula: C25H24BrNO2 MolecularWeight: 450.36756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC(=CC=C4)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC(=CC=C4)Br)C(=O)O

InChI

InChI=1S/C25H24BrNO2/c26-23-10-4-8-21(16-23)24(27-15-5-9-22(17-27)25(28)29)20-13-11-19(12-14-20)18-6-2-1-3-7-18/h1-4,6-8,10-14,16,22,24H,5,9,15,17H2,(H,28,29)