[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C25H23FN2O5 MolecularWeight: 450.458923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=CC(=CC=C2)F)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=CC(=CC=C2)F)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H23FN2O5/c26-20-12-7-13-21(15-20)27-23(29)17-32-24(30)22(14-18-8-3-1-4-9-18)28-25(31)33-16-19-10-5-2-6-11-19/h1-13,15,22H,14,16-17H2,(H,27,29)(H,28,31)