dimethyl 2-(3-heptyl-2-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-1-yl)propanedioate

Systemtic Name: dimethyl 2-(3-heptyl-2-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-1-yl)propanedioate Openeye Name: dimethyl 2-(3-heptyl-2-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-1-yl)propanedioate CAS Name: 2-(3-heptyl-2-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-1-yl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(3-heptyl-2-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-1-yl)propanedioate Traditional Name: 2-(2-carbomethoxy-3-heptyl-3,4-dihydro-1H-isoquinolin-1-yl)malonic acid dimethyl ester Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CC2=CC=CC=C2C(N1C(=O)OC)C(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCCCC1CC2=CC=CC=C2C(N1C(=O)OC)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H33NO6/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/h10-12,14,17,19-20H,5-9,13,15H2,1-4H3