4-[[2,5-diethoxy-4-[(2-methylphenyl)carbonylamino]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2,5-diethoxy-4-[(2-methylphenyl)carbonylamino]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]anilino]-4-oxo-butanoic acid CAS Name: 4-[2,5-diethoxy-4-[[(2-methylphenyl)-oxomethyl]amino]anilino]-4-oxobutanoic acid IUPAC Name: 4-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]anilino]-4-oxobutanoic acid Traditional Name: 4-[2,5-diethoxy-4-(o-toluoylamino)anilino]-4-keto-butyric acid Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2C)OCC)NC(=O)CCC(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2C)OCC)NC(=O)CCC(=O)O

InChI

InChI=1S/C22H26N2O6/c1-4-29-18-13-17(24-22(28)15-9-7-6-8-14(15)3)19(30-5-2)12-16(18)23-20(25)10-11-21(26)27/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,25)(H,24,28)(H,26,27)