[1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-benzamidobutanoate

Systemtic Name: [1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-benzamidobutanoate Openeye Name: [2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid [1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(C)C(=O)NC1=CC=CC=C1F)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)OC(C)C(=O)NC1=CC=CC=C1F)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21FN2O4/c1-13(22-20(26)15-8-4-3-5-9-15)12-18(24)27-14(2)19(25)23-17-11-7-6-10-16(17)21/h3-11,13-14H,12H2,1-2H3,(H,22,26)(H,23,25)