tert-butyl 2-[[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1H-imidazol-4-yl]carbonylamino]ethanoate

Systemtic Name: tert-butyl 2-[[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1H-imidazol-4-yl]carbonylamino]ethanoate Openeye Name: tert-butyl 2-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate CAS Name: 2-[[[5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1H-imidazol-4-yl]-oxomethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate Traditional Name: 2-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carbonyl]amino]acetic acid tert-butyl ester Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC(=O)C1=C(NC=N1)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(C)OC(=O)CNC(=O)C1=C(NC=N1)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H24N4O4/c1-20(2,3)28-15(25)10-21-18(26)16-17(23-12-22-16)19(27)24-9-8-13-6-4-5-7-14(13)11-24/h4-7,12H,8-11H2,1-3H3,(H,21,26)(H,22,23)