O4-[3-cyclopropyl-7-methyl-2-(2-methylpropyl)-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate

Systemtic Name: O4-[3-cyclopropyl-7-methyl-2-(2-methylpropyl)-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate Openeye Name: O4-(3-cyclopropyl-2-isobutyl-7-methyl-6,8-dioxo-7-isoquinolyl) O1-methyl butanedioate CAS Name: butanedioic acid O4-[3-cyclopropyl-7-methyl-2-(2-methylpropyl)-6,8-dioxo-7-isoquinolinyl] ester O1-methyl ester IUPAC Name: 4-O-[3-cyclopropyl-7-methyl-2-(2-methylpropyl)-6,8-dioxoisoquinolin-7-yl] 1-O-methyl butanedioate Traditional Name: succinic acid O4-(3-cyclopropyl-2-isobutyl-6,8-diketo-7-methyl-7-isoquinolyl) ester O1-methyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C2C(=CC(=O)C(C2=O)(C)OC(=O)CCC(=O)OC)C=C1C3CC3

Isomeric SMILES

CC(C)CN1C=C2C(=CC(=O)C(C2=O)(C)OC(=O)CCC(=O)OC)C=C1C3CC3

InChI

InChI=1S/C22H27NO6/c1-13(2)11-23-12-16-15(9-17(23)14-5-6-14)10-18(24)22(3,21(16)27)29-20(26)8-7-19(25)28-4/h9-10,12-14H,5-8,11H2,1-4H3