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

Systemtic Name: (phenylmethyl) 2-[[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1H-imidazol-4-yl]carbonylamino]ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=C(N=CN3)C(=O)NCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=C(N=CN3)C(=O)NCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O4/c28-19(31-14-16-6-2-1-3-7-16)12-24-22(29)20-21(26-15-25-20)23(30)27-11-10-17-8-4-5-9-18(17)13-27/h1-9,15H,10-14H2,(H,24,29)(H,25,26)