[2-(1,3-benzodioxol-5-ylmethyl)-3-butyl-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethyl)-3-butyl-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethyl)-3-butyl-7-methyl-6,8-dioxo-7-isoquinolyl] propanoate CAS Name: propanoic acid [2-(1,3-benzodioxol-5-ylmethyl)-3-butyl-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethyl)-3-butyl-7-methyl-6,8-dioxoisoquinolin-7-yl] propanoate Traditional Name: propionic acid (3-butyl-6,8-diketo-7-methyl-2-piperonyl-7-isoquinolyl) ester Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CC3=CC4=C(C=C3)OCO4)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CC3=CC4=C(C=C3)OCO4)(C)OC(=O)CC

InChI

InChI=1S/C25H27NO6/c1-4-6-7-18-11-17-12-22(27)25(3,32-23(28)5-2)24(29)19(17)14-26(18)13-16-8-9-20-21(10-16)31-15-30-20/h8-12,14H,4-7,13,15H2,1-3H3