[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C21H22FNO6 MolecularWeight: 403.400883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F)OC

InChI

InChI=1S/C21H22FNO6/c1-27-18-9-3-14(11-19(18)28-2)12-23-20(25)13-29-21(26)10-8-17(24)15-4-6-16(22)7-5-15/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,23,25)