O4-(3-butyl-7-methyl-6-oxidanylidene-7-propanoyloxy-isoquinolin-8-yl) O1-methyl butanedioate

Systemtic Name: O4-(3-butyl-7-methyl-6-oxidanylidene-7-propanoyloxy-isoquinolin-8-yl) O1-methyl butanedioate Openeye Name: O4-(3-butyl-7-methyl-6-oxo-7-propanoyloxy-8-isoquinolyl) O1-methyl butanedioate CAS Name: butanedioic acid O4-[3-butyl-7-methyl-6-oxo-7-(1-oxopropoxy)-8-isoquinolinyl] ester O1-methyl ester IUPAC Name: 4-O-(3-butyl-7-methyl-6-oxo-7-propanoyloxyisoquinolin-8-yl) 1-O-methyl butanedioate Traditional Name: succinic acid O4-(3-butyl-6-keto-7-methyl-7-propionyloxy-8-isoquinolyl) ester O1-methyl ester Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=C2C=N1)OC(=O)CCC(=O)OC)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=C2C=N1)OC(=O)CCC(=O)OC)(C)OC(=O)CC

InChI

InChI=1S/C22H27NO7/c1-5-7-8-15-11-14-12-17(24)22(3,30-18(25)6-2)21(16(14)13-23-15)29-20(27)10-9-19(26)28-4/h11-13H,5-10H2,1-4H3