methyl 7-fluoranyl-3-heptyl-1-[1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 7-fluoranyl-3-heptyl-1-[1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]-1H-isoquinoline-2-carboxylate Openeye Name: methyl 7-fluoro-3-heptyl-1-(1-methoxycarbonyl-2-oxo-propyl)-1H-isoquinoline-2-carboxylate CAS Name: 7-fluoro-3-heptyl-1-(1-methoxy-1,3-dioxobutan-2-yl)-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 7-fluoro-3-heptyl-1-(1-methoxy-1,3-dioxobutan-2-yl)-1H-isoquinoline-2-carboxylate Traditional Name: 1-(1-carbomethoxy-2-keto-propyl)-7-fluoro-3-heptyl-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C23H30FNO5 MolecularWeight: 419.486403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(C=C(C=C2)F)C(N1C(=O)OC)C(C(=O)C)C(=O)OC

Isomeric SMILES

CCCCCCCC1=CC2=C(C=C(C=C2)F)C(N1C(=O)OC)C(C(=O)C)C(=O)OC

InChI

InChI=1S/C23H30FNO5/c1-5-6-7-8-9-10-18-13-16-11-12-17(24)14-19(16)21(25(18)23(28)30-4)20(15(2)26)22(27)29-3/h11-14,20-21H,5-10H2,1-4H3