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

Systemtic Name: [3-butyl-7-methyl-2-(2-morpholin-4-ylethyl)-6,8-bis(oxidanylidene)isoquinolin-7-yl] propanoate Openeye Name: [3-butyl-7-methyl-2-(2-morpholinoethyl)-6,8-dioxo-7-isoquinolyl] propanoate CAS Name: propanoic acid [3-butyl-7-methyl-2-[2-(4-morpholinyl)ethyl]-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-butyl-7-methyl-2-(2-morpholin-4-ylethyl)-6,8-dioxoisoquinolin-7-yl] propanoate Traditional Name: propionic acid [3-butyl-6,8-diketo-7-methyl-2-(2-morpholinoethyl)-7-isoquinolyl] ester Formula: C23H32N2O5 MolecularWeight: 416.51058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CCN3CCOCC3)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CCN3CCOCC3)(C)OC(=O)CC

InChI

InChI=1S/C23H32N2O5/c1-4-6-7-18-14-17-15-20(26)23(3,30-21(27)5-2)22(28)19(17)16-25(18)9-8-24-10-12-29-13-11-24/h14-16H,4-13H2,1-3H3