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

Systemtic Name: 3-[7-acetyloxy-5-chloranyl-7-methyl-6,8-bis(oxidanylidene)-2-phenyl-isoquinolin-3-yl]propyl ethanoate Openeye Name: 3-(7-acetoxy-5-chloro-7-methyl-6,8-dioxo-2-phenyl-3-isoquinolyl)propyl acetate CAS Name: acetic acid 3-(7-acetyloxy-5-chloro-7-methyl-6,8-dioxo-2-phenyl-3-isoquinolinyl)propyl ester IUPAC Name: 3-(7-acetyloxy-5-chloro-7-methyl-6,8-dioxo-2-phenylisoquinolin-3-yl)propyl acetate Traditional Name: acetic acid 3-(7-acetoxy-5-chloro-6,8-diketo-7-methyl-2-phenyl-3-isoquinolyl)propyl ester Formula: C23H22ClNO6 MolecularWeight: 443.87688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1C3=CC=CC=C3)(C)OC(=O)C)Cl

Isomeric SMILES

CC(=O)OCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1C3=CC=CC=C3)(C)OC(=O)C)Cl

InChI

InChI=1S/C23H22ClNO6/c1-14(26)30-11-7-10-17-12-18-19(13-25(17)16-8-5-4-6-9-16)21(28)23(3,31-15(2)27)22(29)20(18)24/h4-6,8-9,12-13H,7,10-11H2,1-3H3