ethyl 4-[[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1H-imidazol-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1H-imidazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carbonyl]amino]benzoic acid ethyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H22N4O4/c1-2-31-23(30)16-7-9-18(10-8-16)26-21(28)19-20(25-14-24-19)22(29)27-12-11-15-5-3-4-6-17(15)13-27/h3-10,14H,2,11-13H2,1H3,(H,24,25)(H,26,28)