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

Systemtic Name: 3-[7-acetyloxy-5-chloranyl-7-methyl-6,8-bis(oxidanylidene)-2-(phenylmethyl)isoquinolin-3-yl]propyl ethanoate Openeye Name: 3-(7-acetoxy-2-benzyl-5-chloro-7-methyl-6,8-dioxo-3-isoquinolyl)propyl acetate CAS Name: acetic acid 3-[7-acetyloxy-5-chloro-7-methyl-6,8-dioxo-2-(phenylmethyl)-3-isoquinolinyl]propyl ester IUPAC Name: 3-(7-acetyloxy-2-benzyl-5-chloro-7-methyl-6,8-dioxoisoquinolin-3-yl)propyl acetate Traditional Name: acetic acid 3-(7-acetoxy-2-benzyl-5-chloro-6,8-diketo-7-methyl-3-isoquinolyl)propyl ester Formula: C24H24ClNO6 MolecularWeight: 457.90346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CC3=CC=CC=C3)(C)OC(=O)C)Cl

Isomeric SMILES

CC(=O)OCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CC3=CC=CC=C3)(C)OC(=O)C)Cl

InChI

InChI=1S/C24H24ClNO6/c1-15(27)31-11-7-10-18-12-19-20(14-26(18)13-17-8-5-4-6-9-17)22(29)24(3,32-16(2)28)23(30)21(19)25/h4-6,8-9,12,14H,7,10-11,13H2,1-3H3