3-[4-[3-(1H-benzimidazol-2-ylcarbamoylamino)phenyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[4-[3-(1H-benzimidazol-2-ylcarbamoylamino)phenyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-[4-[3-(1H-benzimidazol-2-ylcarbamoylamino)phenyl]phenyl]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 3-[4-[3-[[(1H-benzimidazol-2-ylamino)-oxomethyl]amino]phenyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[4-[3-(1H-benzimidazol-2-ylcarbamoylamino)phenyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[4-[3-(1H-benzimidazol-2-ylcarbamoylamino)phenyl]phenyl]-2-(benzyloxycarbonylamino)propionic acid Formula: C31H27N5O5 MolecularWeight: 549.57658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)C3=CC(=CC=C3)NC(=O)NC4=NC5=CC=CC=C5N4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)C3=CC(=CC=C3)NC(=O)NC4=NC5=CC=CC=C5N4)C(=O)O

InChI

InChI=1S/C31H27N5O5/c37-28(38)27(35-31(40)41-19-21-7-2-1-3-8-21)17-20-13-15-22(16-14-20)23-9-6-10-24(18-23)32-30(39)36-29-33-25-11-4-5-12-26(25)34-29/h1-16,18,27H,17,19H2,(H,35,40)(H,37,38)(H3,32,33,34,36,39)