3-[7-acetyloxy-5-chloranyl-7-methyl-6,8-bis(oxidanylidene)-2H-isoquinolin-3-yl]propyl ethanoate

Systemtic Name: 3-[7-acetyloxy-5-chloranyl-7-methyl-6,8-bis(oxidanylidene)-2H-isoquinolin-3-yl]propyl ethanoate Openeye Name: 3-(7-acetoxy-5-chloro-7-methyl-6,8-dioxo-2H-isoquinolin-3-yl)propyl acetate CAS Name: acetic acid 3-(7-acetyloxy-5-chloro-7-methyl-6,8-dioxo-2H-isoquinolin-3-yl)propyl ester IUPAC Name: 3-(7-acetyloxy-5-chloro-7-methyl-6,8-dioxo-2H-isoquinolin-3-yl)propyl acetate Traditional Name: acetic acid 3-(7-acetoxy-5-chloro-6,8-diketo-7-methyl-2H-isoquinolin-3-yl)propyl ester Formula: C17H18ClNO6 MolecularWeight: 367.78092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1)(C)OC(=O)C)Cl

Isomeric SMILES

CC(=O)OCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1)(C)OC(=O)C)Cl

InChI

InChI=1S/C17H18ClNO6/c1-9(20)24-6-4-5-11-7-12-13(8-19-11)15(22)17(3,25-10(2)21)16(23)14(12)18/h7-8,19H,4-6H2,1-3H3