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

Systemtic Name: O4-[5-bromanyl-2-cyclopentyl-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate Openeye Name: O4-[5-bromo-2-cyclopentyl-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-7-isoquinolyl] O1-methyl butanedioate CAS Name: butanedioic acid O4-[5-bromo-2-cyclopentyl-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester O1-methyl ester IUPAC Name: 4-O-[5-bromo-2-cyclopentyl-3-(4-methoxyphenyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 1-O-methyl butanedioate Traditional Name: succinic acid O4-[5-bromo-2-cyclopentyl-6,8-diketo-3-(4-methoxyphenyl)-7-methyl-7-isoquinolyl] ester O1-methyl ester Formula: C27H28BrNO7 MolecularWeight: 558.41772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=CN(C(=CC2=C(C1=O)Br)C3=CC=C(C=C3)OC)C4CCCC4)OC(=O)CCC(=O)OC

Isomeric SMILES

CC1(C(=O)C2=CN(C(=CC2=C(C1=O)Br)C3=CC=C(C=C3)OC)C4CCCC4)OC(=O)CCC(=O)OC

InChI

InChI=1S/C27H28BrNO7/c1-27(36-23(31)13-12-22(30)35-3)25(32)20-15-29(17-6-4-5-7-17)21(14-19(20)24(28)26(27)33)16-8-10-18(34-2)11-9-16/h8-11,14-15,17H,4-7,12-13H2,1-3H3