[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C21H20N2O4/c1-13(2)15-8-5-6-10-17(15)22-19(24)12-27-21(26)18-11-14-7-3-4-9-16(14)20(25)23-18/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,25)