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

Systemtic Name: [3-butyl-7-methyl-6,8-bis(oxidanylidene)-2-prop-2-enyl-isoquinolin-7-yl] propanoate Openeye Name: (2-allyl-3-butyl-7-methyl-6,8-dioxo-7-isoquinolyl) propanoate CAS Name: propanoic acid (3-butyl-7-methyl-6,8-dioxo-2-prop-2-enyl-7-isoquinolinyl) ester IUPAC Name: (3-butyl-7-methyl-6,8-dioxo-2-prop-2-enylisoquinolin-7-yl) propanoate Traditional Name: propionic acid (2-allyl-3-butyl-6,8-diketo-7-methyl-7-isoquinolyl) ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CC=C)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CC=C)(C)OC(=O)CC

InChI

InChI=1S/C20H25NO4/c1-5-8-9-15-11-14-12-17(22)20(4,25-18(23)7-3)19(24)16(14)13-21(15)10-6-2/h6,11-13H,2,5,7-10H2,1,3-4H3