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

Systemtic Name: O4-[3-cyclopropyl-2-[(4-methoxyphenyl)methyl]-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate Openeye Name: O4-[3-cyclopropyl-2-[(4-methoxyphenyl)methyl]-7-methyl-6,8-dioxo-7-isoquinolyl] O1-methyl butanedioate CAS Name: butanedioic acid O4-[3-cyclopropyl-2-[(4-methoxyphenyl)methyl]-7-methyl-6,8-dioxo-7-isoquinolinyl] ester O1-methyl ester IUPAC Name: 4-O-[3-cyclopropyl-2-[(4-methoxyphenyl)methyl]-7-methyl-6,8-dioxoisoquinolin-7-yl] 1-O-methyl butanedioate Traditional Name: succinic acid O4-(3-cyclopropyl-6,8-diketo-7-methyl-2-p-anisyl-7-isoquinolyl) ester O1-methyl ester Formula: C26H27NO7 MolecularWeight: 465.49508

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3=CC=C(C=C3)OC)C4CC4)OC(=O)CCC(=O)OC

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3=CC=C(C=C3)OC)C4CC4)OC(=O)CCC(=O)OC

InChI

InChI=1S/C26H27NO7/c1-26(34-24(30)11-10-23(29)33-3)22(28)13-18-12-21(17-6-7-17)27(15-20(18)25(26)31)14-16-4-8-19(32-2)9-5-16/h4-5,8-9,12-13,15,17H,6-7,10-11,14H2,1-3H3