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

Systemtic Name: 3,4-bis[2-(2,5-dimethylphenoxy)ethanoylamino]benzoic acid Openeye Name: 3,4-bis[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid CAS Name: 3,4-bis[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3,4-bis[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid Traditional Name: 3,4-bis[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid Formula: C27H28N2O6 MolecularWeight: 476.52102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)COC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)COC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C27H28N2O6/c1-16-5-7-18(3)23(11-16)34-14-25(30)28-21-10-9-20(27(32)33)13-22(21)29-26(31)15-35-24-12-17(2)6-8-19(24)4/h5-13H,14-15H2,1-4H3,(H,28,30)(H,29,31)(H,32,33)