[2-[2-(4-bromophenyl)ethyl]-3-butyl-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] propanoate

Systemtic Name: [2-[2-(4-bromophenyl)ethyl]-3-butyl-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] propanoate Openeye Name: [2-[2-(4-bromophenyl)ethyl]-3-butyl-7-methyl-6,8-dioxo-7-isoquinolyl] propanoate CAS Name: propanoic acid [2-[2-(4-bromophenyl)ethyl]-3-butyl-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [2-[2-(4-bromophenyl)ethyl]-3-butyl-7-methyl-6,8-dioxoisoquinolin-7-yl] propanoate Traditional Name: propionic acid [2-[2-(4-bromophenyl)ethyl]-3-butyl-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C25H28BrNO4 MolecularWeight: 486.39812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CCC3=CC=C(C=C3)Br)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CCC3=CC=C(C=C3)Br)(C)OC(=O)CC

InChI

InChI=1S/C25H28BrNO4/c1-4-6-7-20-14-18-15-22(28)25(3,31-23(29)5-2)24(30)21(18)16-27(20)13-12-17-8-10-19(26)11-9-17/h8-11,14-16H,4-7,12-13H2,1-3H3