3,5-bis[2-(3,4-dimethoxyphenyl)ethanoylamino]benzoic acid

Systemtic Name: 3,5-bis[2-(3,4-dimethoxyphenyl)ethanoylamino]benzoic acid Openeye Name: 3,5-bis[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid CAS Name: 3,5-bis[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3,5-bis[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid Traditional Name: 3,5-bis(homoveratroylamino)benzoic acid Formula: C27H28N2O8 MolecularWeight: 508.51982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)CC3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)CC3=CC(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C27H28N2O8/c1-34-21-7-5-16(9-23(21)36-3)11-25(30)28-19-13-18(27(32)33)14-20(15-19)29-26(31)12-17-6-8-22(35-2)24(10-17)37-4/h5-10,13-15H,11-12H2,1-4H3,(H,28,30)(H,29,31)(H,32,33)