3-[7-acetyloxy-5-chloranyl-7-methyl-6,8-bis(oxidanylidene)-2-(1-phenylethyl)isoquinolin-3-yl]propyl ethanoate

Systemtic Name: 3-[7-acetyloxy-5-chloranyl-7-methyl-6,8-bis(oxidanylidene)-2-(1-phenylethyl)isoquinolin-3-yl]propyl ethanoate Openeye Name: 3-[7-acetoxy-5-chloro-7-methyl-6,8-dioxo-2-(1-phenylethyl)-3-isoquinolyl]propyl acetate CAS Name: acetic acid 3-[7-acetyloxy-5-chloro-7-methyl-6,8-dioxo-2-(1-phenylethyl)-3-isoquinolinyl]propyl ester IUPAC Name: 3-[7-acetyloxy-5-chloro-7-methyl-6,8-dioxo-2-(1-phenylethyl)isoquinolin-3-yl]propyl acetate Traditional Name: acetic acid 3-[7-acetoxy-5-chloro-6,8-diketo-7-methyl-2-(1-phenylethyl)-3-isoquinolyl]propyl ester Formula: C25H26ClNO6 MolecularWeight: 471.93004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=C3C(=C(C(=O)C(C3=O)(C)OC(=O)C)Cl)C=C2CCCOC(=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)N2C=C3C(=C(C(=O)C(C3=O)(C)OC(=O)C)Cl)C=C2CCCOC(=O)C

InChI

InChI=1S/C25H26ClNO6/c1-15(18-9-6-5-7-10-18)27-14-21-20(13-19(27)11-8-12-32-16(2)28)22(26)24(31)25(4,23(21)30)33-17(3)29/h5-7,9-10,13-15H,8,11-12H2,1-4H3