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

Systemtic Name: [3-butyl-7-methyl-2-(2-methylpropyl)-6,8-bis(oxidanylidene)isoquinolin-7-yl] propanoate Openeye Name: (3-butyl-2-isobutyl-7-methyl-6,8-dioxo-7-isoquinolyl) propanoate CAS Name: propanoic acid [3-butyl-7-methyl-2-(2-methylpropyl)-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-butyl-7-methyl-2-(2-methylpropyl)-6,8-dioxoisoquinolin-7-yl] propanoate Traditional Name: propionic acid (3-butyl-2-isobutyl-6,8-diketo-7-methyl-7-isoquinolyl) ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CC(C)C)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CC(C)C)(C)OC(=O)CC

InChI

InChI=1S/C21H29NO4/c1-6-8-9-16-10-15-11-18(23)21(5,26-19(24)7-2)20(25)17(15)13-22(16)12-14(3)4/h10-11,13-14H,6-9,12H2,1-5H3