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

Systemtic Name: O4-[2-(3-cyanophenyl)-3-cyclopropyl-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate Openeye Name: O4-[2-(3-cyanophenyl)-3-cyclopropyl-7-methyl-6,8-dioxo-7-isoquinolyl] O1-methyl butanedioate CAS Name: butanedioic acid O4-[2-(3-cyanophenyl)-3-cyclopropyl-7-methyl-6,8-dioxo-7-isoquinolinyl] ester O1-methyl ester IUPAC Name: 4-O-[2-(3-cyanophenyl)-3-cyclopropyl-7-methyl-6,8-dioxoisoquinolin-7-yl] 1-O-methyl butanedioate Traditional Name: succinic acid O4-[2-(3-cyanophenyl)-3-cyclopropyl-6,8-diketo-7-methyl-7-isoquinolyl] ester O1-methyl ester Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3=CC=CC(=C3)C#N)C4CC4)OC(=O)CCC(=O)OC

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3=CC=CC(=C3)C#N)C4CC4)OC(=O)CCC(=O)OC

InChI

InChI=1S/C25H22N2O6/c1-25(33-23(30)9-8-22(29)32-2)21(28)12-17-11-20(16-6-7-16)27(14-19(17)24(25)31)18-5-3-4-15(10-18)13-26/h3-5,10-12,14,16H,6-9H2,1-2H3