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

Systemtic Name: [3-butyl-7-methyl-6,8-bis(oxidanylidene)-2-phenyl-isoquinolin-7-yl] propanoate Openeye Name: (3-butyl-7-methyl-6,8-dioxo-2-phenyl-7-isoquinolyl) propanoate CAS Name: propanoic acid (3-butyl-7-methyl-6,8-dioxo-2-phenyl-7-isoquinolinyl) ester IUPAC Name: (3-butyl-7-methyl-6,8-dioxo-2-phenylisoquinolin-7-yl) propanoate Traditional Name: propionic acid (3-butyl-6,8-diketo-7-methyl-2-phenyl-7-isoquinolyl) ester Formula: C23H25NO4 MolecularWeight: 379.4489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1C3=CC=CC=C3)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1C3=CC=CC=C3)(C)OC(=O)CC

InChI

InChI=1S/C23H25NO4/c1-4-6-10-18-13-16-14-20(25)23(3,28-21(26)5-2)22(27)19(16)15-24(18)17-11-8-7-9-12-17/h7-9,11-15H,4-6,10H2,1-3H3