[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)-4-oxo-butanoate CAS Name: 4-(4-acetyl-1-piperazinyl)-4-oxobutanoic acid [2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-(4-acetylpiperazino)-4-keto-butyric acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C18H22FN3O5 MolecularWeight: 379.382783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C18H22FN3O5/c1-13(23)21-7-9-22(10-8-21)17(25)5-6-18(26)27-12-16(24)20-15-4-2-3-14(19)11-15/h2-4,11H,5-10,12H2,1H3,(H,20,24)