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

Systemtic Name: O4-[3-cyclopropyl-7-methyl-6,8-bis(oxidanylidene)-2-prop-2-enyl-isoquinolin-7-yl] O1-methyl butanedioate Openeye Name: O4-(2-allyl-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-prop-2-enyl-7-isoquinolinyl) ester O1-methyl ester IUPAC Name: 4-O-(3-cyclopropyl-7-methyl-6,8-dioxo-2-prop-2-enylisoquinolin-7-yl) 1-O-methyl butanedioate Traditional Name: succinic acid O4-(2-allyl-3-cyclopropyl-6,8-diketo-7-methyl-7-isoquinolyl) ester O1-methyl ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-4-9-22-12-15-14(10-16(22)13-5-6-13)11-17(23)21(2,20(15)26)28-19(25)8-7-18(24)27-3/h4,10-13H,1,5-9H2,2-3H3