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

Systemtic Name: 3-[7-acetyloxy-5-chloranyl-2,7-dimethyl-6,8-bis(oxidanylidene)isoquinolin-3-yl]propyl ethanoate Openeye Name: 3-(7-acetoxy-5-chloro-2,7-dimethyl-6,8-dioxo-3-isoquinolyl)propyl acetate CAS Name: acetic acid 3-(7-acetyloxy-5-chloro-2,7-dimethyl-6,8-dioxo-3-isoquinolinyl)propyl ester IUPAC Name: 3-(7-acetyloxy-5-chloro-2,7-dimethyl-6,8-dioxoisoquinolin-3-yl)propyl acetate Traditional Name: acetic acid 3-(7-acetoxy-5-chloro-6,8-diketo-2,7-dimethyl-3-isoquinolyl)propyl ester Formula: C18H20ClNO6 MolecularWeight: 381.8075

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1C)(C)OC(=O)C)Cl

Isomeric SMILES

CC(=O)OCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1C)(C)OC(=O)C)Cl

InChI

InChI=1S/C18H20ClNO6/c1-10(21)25-7-5-6-12-8-13-14(9-20(12)4)16(23)18(3,26-11(2)22)17(24)15(13)19/h8-9H,5-7H2,1-4H3