3,4-bis[2-(3-methylphenoxy)ethanoylamino]benzoate

Systemtic Name: 3,4-bis[2-(3-methylphenoxy)ethanoylamino]benzoate Openeye Name: 3,4-bis[[2-(3-methylphenoxy)acetyl]amino]benzoate CAS Name: 3,4-bis[[2-(3-methylphenoxy)-1-oxoethyl]amino]benzoate IUPAC Name: 3,4-bis[[2-(3-methylphenoxy)acetyl]amino]benzoate Traditional Name: 3,4-bis[[2-(3-methylphenoxy)acetyl]amino]benzoate Formula: C25H23N2O6- MolecularWeight: 447.45992

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O6/c1-16-5-3-7-19(11-16)32-14-23(28)26-21-10-9-18(25(30)31)13-22(21)27-24(29)15-33-20-8-4-6-17(2)12-20/h3-13H,14-15H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)/p-1