[3-butyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] propanoate

Systemtic Name: [3-butyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] propanoate Openeye Name: [3-butyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-6,8-dioxo-7-isoquinolyl] propanoate CAS Name: propanoic acid [3-butyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-butyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-6,8-dioxoisoquinolin-7-yl] propanoate Traditional Name: propionic acid [3-butyl-2-[2-(1H-indol-3-yl)ethyl]-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CCC3=CNC4=CC=CC=C43)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CCC3=CNC4=CC=CC=C43)(C)OC(=O)CC

InChI

InChI=1S/C27H30N2O4/c1-4-6-9-20-14-19-15-24(30)27(3,33-25(31)5-2)26(32)22(19)17-29(20)13-12-18-16-28-23-11-8-7-10-21(18)23/h7-8,10-11,14-17,28H,4-6,9,12-13H2,1-3H3