O4-[2-(1,3-benzodioxol-5-ylmethyl)-3-cyclopropyl-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate

Systemtic Name: O4-[2-(1,3-benzodioxol-5-ylmethyl)-3-cyclopropyl-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate Openeye Name: O4-[2-(1,3-benzodioxol-5-ylmethyl)-3-cyclopropyl-7-methyl-6,8-dioxo-7-isoquinolyl] O1-methyl butanedioate CAS Name: butanedioic acid O4-[2-(1,3-benzodioxol-5-ylmethyl)-3-cyclopropyl-7-methyl-6,8-dioxo-7-isoquinolinyl] ester O1-methyl ester IUPAC Name: 4-O-[2-(1,3-benzodioxol-5-ylmethyl)-3-cyclopropyl-7-methyl-6,8-dioxoisoquinolin-7-yl] 1-O-methyl butanedioate Traditional Name: succinic acid O4-(3-cyclopropyl-6,8-diketo-7-methyl-2-piperonyl-7-isoquinolyl) ester O1-methyl ester Formula: C26H25NO8 MolecularWeight: 479.4786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3=CC4=C(C=C3)OCO4)C5CC5)OC(=O)CCC(=O)OC

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3=CC4=C(C=C3)OCO4)C5CC5)OC(=O)CCC(=O)OC

InChI

InChI=1S/C26H25NO8/c1-26(35-24(30)8-7-23(29)32-2)22(28)11-17-10-19(16-4-5-16)27(13-18(17)25(26)31)12-15-3-6-20-21(9-15)34-14-33-20/h3,6,9-11,13,16H,4-5,7-8,12,14H2,1-2H3