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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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