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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)COC3=CC=CC(=C3C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)COC3=CC=CC(=C3C)C)C

InChI

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