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

Systemtic Name: O4-[3-cyclopropyl-7-methyl-6,8-bis(oxidanylidene)-2-(phenylmethyl)isoquinolin-7-yl] O1-methyl butanedioate Openeye Name: O4-(2-benzyl-3-cyclopropyl-7-methyl-6,8-dioxo-7-isoquinolyl) O1-methyl butanedioate CAS Name: butanedioic acid O4-[3-cyclopropyl-7-methyl-6,8-dioxo-2-(phenylmethyl)-7-isoquinolinyl] ester O1-methyl ester IUPAC Name: 4-O-(2-benzyl-3-cyclopropyl-7-methyl-6,8-dioxoisoquinolin-7-yl) 1-O-methyl butanedioate Traditional Name: succinic acid O4-(2-benzyl-3-cyclopropyl-6,8-diketo-7-methyl-7-isoquinolyl) ester O1-methyl ester Formula: C25H25NO6 MolecularWeight: 435.4691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO6/c1-25(32-23(29)11-10-22(28)31-2)21(27)13-18-12-20(17-8-9-17)26(15-19(18)24(25)30)14-16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3