methyl 2-cyclohexyl-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-cyclohexyl-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate Openeye Name: methyl 2-cyclohexyl-1,3-dioxo-4H-isoquinoline-4-carboxylate CAS Name: 2-cyclohexyl-1,3-dioxo-4H-isoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl 2-cyclohexyl-1,3-dioxo-4H-isoquinoline-4-carboxylate Traditional Name: 2-cyclohexyl-1,3-diketo-4H-isoquinoline-4-carboxylic acid methyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)C3CCCCC3

Isomeric SMILES

COC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)C3CCCCC3

InChI

InChI=1S/C17H19NO4/c1-22-17(21)14-12-9-5-6-10-13(12)15(19)18(16(14)20)11-7-3-2-4-8-11/h5-6,9-11,14H,2-4,7-8H2,1H3