O4-[5-bromanyl-2-cyclopropyl-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate

Systemtic Name: O4-[5-bromanyl-2-cyclopropyl-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate Openeye Name: O4-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-7-isoquinolyl] O1-methyl butanedioate CAS Name: butanedioic acid O4-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester O1-methyl ester IUPAC Name: 4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 1-O-methyl butanedioate Traditional Name: succinic acid O4-[5-bromo-2-cyclopropyl-6,8-diketo-3-(4-methoxyphenyl)-7-methyl-7-isoquinolyl] ester O1-methyl ester Formula: C25H24BrNO7 MolecularWeight: 530.36456

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=CN(C(=CC2=C(C1=O)Br)C3=CC=C(C=C3)OC)C4CC4)OC(=O)CCC(=O)OC

Isomeric SMILES

CC1(C(=O)C2=CN(C(=CC2=C(C1=O)Br)C3=CC=C(C=C3)OC)C4CC4)OC(=O)CCC(=O)OC

InChI

InChI=1S/C25H24BrNO7/c1-25(34-21(29)11-10-20(28)33-3)23(30)18-13-27(15-6-7-15)19(12-17(18)22(26)24(25)31)14-4-8-16(32-2)9-5-14/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3