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

Systemtic Name: O4-[5-bromanyl-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)-2-prop-2-enyl-isoquinolin-7-yl] O1-methyl butanedioate Openeye Name: O4-[2-allyl-5-bromo-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-7-isoquinolyl] O1-methyl butanedioate CAS Name: butanedioic acid O4-[5-bromo-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-2-prop-2-enyl-7-isoquinolinyl] ester O1-methyl ester IUPAC Name: 4-O-[5-bromo-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-2-prop-2-enylisoquinolin-7-yl] 1-O-methyl butanedioate Traditional Name: succinic acid O4-[2-allyl-5-bromo-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)CC=C)OC(=O)CCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrNO7/c1-5-12-27-14-18-17(13-19(27)15-6-8-16(32-3)9-7-15)22(26)24(31)25(2,23(18)30)34-21(29)11-10-20(28)33-4/h5-9,13-14H,1,10-12H2,2-4H3