hexyl 2-(2-methylphenyl)-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate

Systemtic Name: hexyl 2-(2-methylphenyl)-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate Openeye Name: hexyl 2-(o-tolyl)-1,3-dioxo-4H-isoquinoline-4-carboxylate CAS Name: 2-(2-methylphenyl)-1,3-dioxo-4H-isoquinoline-4-carboxylic acid hexyl ester IUPAC Name: hexyl 2-(2-methylphenyl)-1,3-dioxo-4H-isoquinoline-4-carboxylate Traditional Name: 1,3-diketo-2-(o-tolyl)-4H-isoquinoline-4-carboxylic acid hexyl ester Formula: C23H25NO4 MolecularWeight: 379.4489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCCCOC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3C

InChI

InChI=1S/C23H25NO4/c1-3-4-5-10-15-28-23(27)20-17-12-7-8-13-18(17)21(25)24(22(20)26)19-14-9-6-11-16(19)2/h6-9,11-14,20H,3-5,10,15H2,1-2H3