(phenylmethyl) 3-[5-bromanyl-1-(diethoxyphosphorylmethyl)benzimidazol-2-yl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) 3-[5-bromanyl-1-(diethoxyphosphorylmethyl)benzimidazol-2-yl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl 2-(benzyloxycarbonylamino)-3-[5-bromo-1-(diethoxyphosphorylmethyl)benzimidazol-2-yl]propanoate CAS Name: 3-[5-bromo-1-(diethoxyphosphorylmethyl)-2-benzimidazolyl]-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[5-bromo-1-(diethoxyphosphorylmethyl)benzimidazol-2-yl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[5-bromo-1-(diethoxyphosphorylmethyl)benzimidazol-2-yl]propionic acid benzyl ester Formula: C30H33BrN3O7P MolecularWeight: 658.476681

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CN1C2=C(C=C(C=C2)Br)N=C1CC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)OCC

Isomeric SMILES

CCOP(=O)(CN1C2=C(C=C(C=C2)Br)N=C1CC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)OCC

InChI

InChI=1S/C30H33BrN3O7P/c1-3-40-42(37,41-4-2)21-34-27-16-15-24(31)17-25(27)32-28(34)18-26(29(35)38-19-22-11-7-5-8-12-22)33-30(36)39-20-23-13-9-6-10-14-23/h5-17,26H,3-4,18-21H2,1-2H3,(H,33,36)