O4-[3-cyclopropyl-7-methyl-2-(4-oxidanylbutyl)-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate

Systemtic Name: O4-[3-cyclopropyl-7-methyl-2-(4-oxidanylbutyl)-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate Openeye Name: O4-[3-cyclopropyl-2-(4-hydroxybutyl)-7-methyl-6,8-dioxo-7-isoquinolyl] O1-methyl butanedioate CAS Name: butanedioic acid O4-[3-cyclopropyl-2-(4-hydroxybutyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester O1-methyl ester IUPAC Name: 4-O-[3-cyclopropyl-2-(4-hydroxybutyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 1-O-methyl butanedioate Traditional Name: succinic acid O4-[3-cyclopropyl-2-(4-hydroxybutyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester O1-methyl ester Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CCCCO)C3CC3)OC(=O)CCC(=O)OC

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CCCCO)C3CC3)OC(=O)CCC(=O)OC

InChI

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