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

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid [2-(3-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=CC(=C1)C#N)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=CC=CC(=C1)C#N)NC(=O)C2=CC=CC=C2F

InChI

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