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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]isonipecotic acid Formula: C23H28BrNO6 MolecularWeight: 494.37552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C23H28BrNO6/c1-28-18-6-5-15(11-19(18)29-2)22(25-9-7-14(8-10-25)23(26)27)16-12-20(30-3)21(31-4)13-17(16)24/h5-6,11-14,22H,7-10H2,1-4H3,(H,26,27)