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

Systemtic Name: dimethyl 2-(3-heptyl-2-methoxycarbonyl-1H-isoquinolin-1-yl)propanedioate Openeye Name: dimethyl 2-(3-heptyl-2-methoxycarbonyl-1H-isoquinolin-1-yl)propanedioate CAS Name: 2-(3-heptyl-2-methoxycarbonyl-1H-isoquinolin-1-yl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(3-heptyl-2-methoxycarbonyl-1H-isoquinolin-1-yl)propanedioate Traditional Name: 2-(2-carbomethoxy-3-heptyl-1H-isoquinolin-1-yl)malonic acid dimethyl ester Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=CC=CC=C2C(N1C(=O)OC)C(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCCCC1=CC2=CC=CC=C2C(N1C(=O)OC)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H31NO6/c1-5-6-7-8-9-13-17-15-16-12-10-11-14-18(16)20(24(17)23(27)30-4)19(21(25)28-2)22(26)29-3/h10-12,14-15,19-20H,5-9,13H2,1-4H3