1-[(3-bromophenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(3-bromophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(3-bromophenyl)methyl]isonipecotic acid Formula: C27H28BrNO4 MolecularWeight: 510.41952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC(=CC=C2)Br)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC(=CC=C2)Br)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28BrNO4/c1-32-25-17-22(10-11-24(25)33-18-19-6-3-2-4-7-19)26(21-8-5-9-23(28)16-21)29-14-12-20(13-15-29)27(30)31/h2-11,16-17,20,26H,12-15,18H2,1H3,(H,30,31)