[2-[[2-(aminocarbonylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate hydrate

Systemtic Name: [2-[[2-(aminocarbonylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate hydrate Openeye Name: [2-phenyl-6-[(2-ureidobenzimidazol-1-yl)methyl]phenyl] hydrogen carbonate hydrate CAS Name: carbonic acid [2-[[2-(carbamoylamino)-1-benzimidazolyl]methyl]-6-phenylphenyl] ester hydrate IUPAC Name: [2-[[2-(carbamoylamino)benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate hydrate Traditional Name: carbonic acid [2-phenyl-6-[(2-ureidobenzimidazol-1-yl)methyl]phenyl] ester hydrate Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=CC=C2)CN3C4=CC=CC=C4N=C3NC(=O)N)OC(=O)O.O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=CC=C2)CN3C4=CC=CC=C4N=C3NC(=O)N)OC(=O)O.O

InChI

InChI=1S/C22H18N4O4.H2O/c23-20(27)25-21-24-17-11-4-5-12-18(17)26(21)13-15-9-6-10-16(19(15)30-22(28)29)14-7-2-1-3-8-14;/h1-12H,13H2,(H,28,29)(H3,23,24,25,27);1H2