methyl 6-fluoranyl-1-oxidanylidene-4-(3-oxidanylidenebutyl)-3,4-dihydroisoquinoline-2-carboxylate

Systemtic Name: methyl 6-fluoranyl-1-oxidanylidene-4-(3-oxidanylidenebutyl)-3,4-dihydroisoquinoline-2-carboxylate Openeye Name: methyl 6-fluoro-1-oxo-4-(3-oxobutyl)-3,4-dihydroisoquinoline-2-carboxylate CAS Name: 6-fluoro-1-oxo-4-(3-oxobutyl)-3,4-dihydroisoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 6-fluoro-1-oxo-4-(3-oxobutyl)-3,4-dihydroisoquinoline-2-carboxylate Traditional Name: 6-fluoro-1-keto-4-(3-ketobutyl)-3,4-dihydroisoquinoline-2-carboxylic acid methyl ester Formula: C15H16FNO4 MolecularWeight: 293.290243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1CN(C(=O)C2=C1C=C(C=C2)F)C(=O)OC

Isomeric SMILES

CC(=O)CCC1CN(C(=O)C2=C1C=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C15H16FNO4/c1-9(18)3-4-10-8-17(15(20)21-2)14(19)12-6-5-11(16)7-13(10)12/h5-7,10H,3-4,8H2,1-2H3