[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C18H18FN3O4 MolecularWeight: 359.351623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCC(=O)OCC(=O)N(CCC#N)CCC#N)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCC(=O)OCC(=O)N(CCC#N)CCC#N)F

InChI

InChI=1S/C18H18FN3O4/c19-15-5-3-14(4-6-15)16(23)7-8-18(25)26-13-17(24)22(11-1-9-20)12-2-10-21/h3-6H,1-2,7-8,11-13H2