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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)COC3=CC=CC(=C3)CC

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)COC3=CC=CC(=C3)CC

InChI

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