4-fluoranyl-3-[[methyl-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]benzoate

Systemtic Name: 4-fluoranyl-3-[[methyl-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]benzoate Openeye Name: 3-[[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]-methyl-amino]methyl]-4-fluoro-benzoate CAS Name: 4-fluoro-3-[[methyl-[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]methyl]benzoate IUPAC Name: 4-fluoro-3-[[methyl-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]benzoate Traditional Name: 3-[[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]-methyl-amino]methyl]-4-fluoro-benzoate Formula: C26H24FN2O5- MolecularWeight: 463.477563

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)C(=O)[O-])F)C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)C(=O)[O-])F)C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H25FN2O5/c1-29(16-21-15-20(25(31)32)12-13-22(21)27)24(30)23(14-18-8-4-2-5-9-18)28-26(33)34-17-19-10-6-3-7-11-19/h2-13,15,23H,14,16-17H2,1H3,(H,28,33)(H,31,32)/p-1