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

Systemtic Name: [3-butyl-7-methyl-6,8-bis(oxidanylidene)-2-(3-propan-2-yloxypropyl)isoquinolin-7-yl] propanoate Openeye Name: [3-butyl-2-(3-isopropoxypropyl)-7-methyl-6,8-dioxo-7-isoquinolyl] propanoate CAS Name: propanoic acid [3-butyl-7-methyl-6,8-dioxo-2-(3-propan-2-yloxypropyl)-7-isoquinolinyl] ester IUPAC Name: [3-butyl-7-methyl-6,8-dioxo-2-(3-propan-2-yloxypropyl)isoquinolin-7-yl] propanoate Traditional Name: propionic acid [3-butyl-2-(3-isopropoxypropyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C23H33NO5 MolecularWeight: 403.51182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CCCOC(C)C)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CCCOC(C)C)(C)OC(=O)CC

InChI

InChI=1S/C23H33NO5/c1-6-8-10-18-13-17-14-20(25)23(5,29-21(26)7-2)22(27)19(17)15-24(18)11-9-12-28-16(3)4/h13-16H,6-12H2,1-5H3