1-[(2-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2-bromophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2-bromophenyl)methyl]nipecotic acid Formula: C28H30BrNO5 MolecularWeight: 540.4455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CC=C3Br)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CC=C3Br)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C28H30BrNO5/c1-33-24-15-21(16-25(34-2)27(24)35-18-19-9-4-3-5-10-19)26(22-12-6-7-13-23(22)29)30-14-8-11-20(17-30)28(31)32/h3-7,9-10,12-13,15-16,20,26H,8,11,14,17-18H2,1-2H3,(H,31,32)