(phenylmethyl) 6-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]carbonyloxyisoquinoline-1-carboxylate

Systemtic Name: (phenylmethyl) 6-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]carbonyloxyisoquinoline-1-carboxylate Openeye Name: benzyl 6-[4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]oxyisoquinoline-1-carboxylate CAS Name: 6-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-oxomethoxy]-1-isoquinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]oxyisoquinoline-1-carboxylate Traditional Name: 6-[4-(2-imidazolin-2-ylamino)benzoyl]oxyisoquinoline-1-carboxylic acid benzyl ester Formula: C27H22N4O4 MolecularWeight: 466.48798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=NC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN=C(N1)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=NC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O4/c32-25(19-6-8-21(9-7-19)31-27-29-14-15-30-27)35-22-10-11-23-20(16-22)12-13-28-24(23)26(33)34-17-18-4-2-1-3-5-18/h1-13,16H,14-15,17H2,(H2,29,30,31)