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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(5-bromo-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(5-bromo-2-thienyl)methyl]isonipecotic acid Formula: C26H28BrNO5S MolecularWeight: 546.47322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=C(S3)Br)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=C(S3)Br)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C26H28BrNO5S/c1-31-20-14-19(15-21(32-2)25(20)33-16-17-6-4-3-5-7-17)24(22-8-9-23(27)34-22)28-12-10-18(11-13-28)26(29)30/h3-9,14-15,18,24H,10-13,16H2,1-2H3,(H,29,30)