4-[[2,5-diethoxy-4-[(3-fluorophenyl)carbonylamino]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2,5-diethoxy-4-[(3-fluorophenyl)carbonylamino]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2,5-diethoxy-4-[(3-fluorobenzoyl)amino]anilino]-4-oxo-butanoic acid CAS Name: 4-[2,5-diethoxy-4-[[(3-fluorophenyl)-oxomethyl]amino]anilino]-4-oxobutanoic acid IUPAC Name: 4-[2,5-diethoxy-4-[(3-fluorobenzoyl)amino]anilino]-4-oxobutanoic acid Traditional Name: 4-[2,5-diethoxy-4-[(3-fluorobenzoyl)amino]anilino]-4-keto-butyric acid Formula: C21H23FN2O6 MolecularWeight: 418.415523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O6/c1-3-29-17-12-16(24-21(28)13-6-5-7-14(22)10-13)18(30-4-2)11-15(17)23-19(25)8-9-20(26)27/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,23,25)(H,24,28)(H,26,27)