[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 2-[(4-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-fluorobenzoyl)amino]-3-methyl-butyric acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)C#N)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)C#N)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H20FN3O4/c1-13(2)19(25-20(27)15-5-7-16(22)8-6-15)21(28)29-12-18(26)24-17-9-3-14(11-23)4-10-17/h3-10,13,19H,12H2,1-2H3,(H,24,26)(H,25,27)