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

Systemtic Name: [3-butyl-2-cyclohexyl-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] propanoate Openeye Name: (3-butyl-2-cyclohexyl-7-methyl-6,8-dioxo-7-isoquinolyl) propanoate CAS Name: propanoic acid (3-butyl-2-cyclohexyl-7-methyl-6,8-dioxo-7-isoquinolinyl) ester IUPAC Name: (3-butyl-2-cyclohexyl-7-methyl-6,8-dioxoisoquinolin-7-yl) propanoate Traditional Name: propionic acid (3-butyl-2-cyclohexyl-6,8-diketo-7-methyl-7-isoquinolyl) ester Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1C3CCCCC3)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1C3CCCCC3)(C)OC(=O)CC

InChI

InChI=1S/C23H31NO4/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/h13-15,17H,4-12H2,1-3H3