[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-(5-chloro-2-fluoro-anilino)-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-(5-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C25H22ClFN2O5 MolecularWeight: 484.903983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClFN2O5/c26-19-11-12-20(27)21(14-19)28-23(30)16-33-24(31)22(13-17-7-3-1-4-8-17)29-25(32)34-15-18-9-5-2-6-10-18/h1-12,14,22H,13,15-16H2,(H,28,30)(H,29,32)