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

Systemtic Name: [3-butyl-7-methyl-2-(4-oxidanylbutyl)-6,8-bis(oxidanylidene)isoquinolin-7-yl] propanoate Openeye Name: [3-butyl-2-(4-hydroxybutyl)-7-methyl-6,8-dioxo-7-isoquinolyl] propanoate CAS Name: propanoic acid [3-butyl-2-(4-hydroxybutyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-butyl-2-(4-hydroxybutyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] propanoate Traditional Name: propionic acid [3-butyl-2-(4-hydroxybutyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CCCCO)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CCCCO)(C)OC(=O)CC

InChI

InChI=1S/C21H29NO5/c1-4-6-9-16-12-15-13-18(24)21(3,27-19(25)5-2)20(26)17(15)14-22(16)10-7-8-11-23/h12-14,23H,4-11H2,1-3H3