[5-chloranyl-3-heptyl-2,7-dimethyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] ethanoate

Systemtic Name: [5-chloranyl-3-heptyl-2,7-dimethyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] ethanoate Openeye Name: (5-chloro-3-heptyl-2,7-dimethyl-6,8-dioxo-7-isoquinolyl) acetate CAS Name: acetic acid (5-chloro-3-heptyl-2,7-dimethyl-6,8-dioxo-7-isoquinolinyl) ester IUPAC Name: (5-chloro-3-heptyl-2,7-dimethyl-6,8-dioxoisoquinolin-7-yl) acetate Traditional Name: acetic acid (5-chloro-3-heptyl-6,8-diketo-2,7-dimethyl-7-isoquinolyl) ester Formula: C20H26ClNO4 MolecularWeight: 379.87774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1C)(C)OC(=O)C)Cl

Isomeric SMILES

CCCCCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1C)(C)OC(=O)C)Cl

InChI

InChI=1S/C20H26ClNO4/c1-5-6-7-8-9-10-14-11-15-16(12-22(14)4)18(24)20(3,26-13(2)23)19(25)17(15)21/h11-12H,5-10H2,1-4H3