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

Systemtic Name: [3-butyl-2-(furan-2-ylmethyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] propanoate Openeye Name: [3-butyl-2-(2-furylmethyl)-7-methyl-6,8-dioxo-7-isoquinolyl] propanoate CAS Name: propanoic acid [3-butyl-2-(2-furanylmethyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-butyl-2-(furan-2-ylmethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] propanoate Traditional Name: propionic acid [3-butyl-2-(2-furfuryl)-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CC3=CC=CO3)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CC3=CC=CO3)(C)OC(=O)CC

InChI

InChI=1S/C22H25NO5/c1-4-6-8-16-11-15-12-19(24)22(3,28-20(25)5-2)21(26)18(15)14-23(16)13-17-9-7-10-27-17/h7,9-12,14H,4-6,8,13H2,1-3H3