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

Systemtic Name: 3-[7-acetyloxy-5-chloranyl-7-methyl-6,8-bis(oxidanylidene)-2-(3-oxidanylpropyl)isoquinolin-3-yl]propyl ethanoate Openeye Name: 3-[7-acetoxy-5-chloro-2-(3-hydroxypropyl)-7-methyl-6,8-dioxo-3-isoquinolyl]propyl acetate CAS Name: acetic acid 3-[7-acetyloxy-5-chloro-2-(3-hydroxypropyl)-7-methyl-6,8-dioxo-3-isoquinolinyl]propyl ester IUPAC Name: 3-[7-acetyloxy-5-chloro-2-(3-hydroxypropyl)-7-methyl-6,8-dioxoisoquinolin-3-yl]propyl acetate Traditional Name: acetic acid 3-[7-acetoxy-5-chloro-2-(3-hydroxypropyl)-6,8-diketo-7-methyl-3-isoquinolyl]propyl ester Formula: C20H24ClNO7 MolecularWeight: 425.86006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CCCO)(C)OC(=O)C)Cl

Isomeric SMILES

CC(=O)OCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CCCO)(C)OC(=O)C)Cl

InChI

InChI=1S/C20H24ClNO7/c1-12(24)28-9-4-6-14-10-15-16(11-22(14)7-5-8-23)18(26)20(3,29-13(2)25)19(27)17(15)21/h10-11,23H,4-9H2,1-3H3