[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H19BrFNO5 MolecularWeight: 452.270963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H19BrFNO5/c1-27-18-8-4-14(21)10-16(18)17(24)7-9-20(26)28-12-19(25)23-11-13-2-5-15(22)6-3-13/h2-6,8,10H,7,9,11-12H2,1H3,(H,23,25)