dimethyl 2-(7-fluoranyl-3-heptyl-2-methoxycarbonyl-1H-isoquinolin-1-yl)propanedioate

Systemtic Name: dimethyl 2-(7-fluoranyl-3-heptyl-2-methoxycarbonyl-1H-isoquinolin-1-yl)propanedioate Openeye Name: dimethyl 2-(7-fluoro-3-heptyl-2-methoxycarbonyl-1H-isoquinolin-1-yl)propanedioate CAS Name: 2-(7-fluoro-3-heptyl-2-methoxycarbonyl-1H-isoquinolin-1-yl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(7-fluoro-3-heptyl-2-methoxycarbonyl-1H-isoquinolin-1-yl)propanedioate Traditional Name: 2-(2-carbomethoxy-7-fluoro-3-heptyl-1H-isoquinolin-1-yl)malonic acid dimethyl ester Formula: C23H30FNO6 MolecularWeight: 435.485803

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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)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H30FNO6/c1-5-6-7-8-9-10-17-13-15-11-12-16(24)14-18(15)20(25(17)23(28)31-4)19(21(26)29-2)22(27)30-3/h11-14,19-20H,5-10H2,1-4H3