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

Systemtic Name: 1-[(3-bromophenyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3-phenoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(3-phenoxyphenyl)methyl]nipecotic acid Formula: C25H24BrNO3 MolecularWeight: 466.36696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC(=CC=C4)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC(=CC=C4)Br)C(=O)O

InChI

InChI=1S/C25H24BrNO3/c26-21-10-4-7-18(15-21)24(27-14-6-9-20(17-27)25(28)29)19-8-5-13-23(16-19)30-22-11-2-1-3-12-22/h1-5,7-8,10-13,15-16,20,24H,6,9,14,17H2,(H,28,29)