5-[2,6-bis(fluoranyl)phenyl]carbonyloxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[2,6-bis(fluoranyl)phenyl]carbonyloxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-5-(2,6-difluorobenzoyl)oxy-4-oxo-pentanoic acid CAS Name: 5-[(2,6-difluorophenyl)-oxomethoxy]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-(2,6-difluorobenzoyl)oxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-5-(2,6-difluorobenzoyl)oxy-4-keto-valeric acid Formula: C20H17F2NO7 MolecularWeight: 421.348286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)COC(=O)C2=C(C=CC=C2F)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)COC(=O)C2=C(C=CC=C2F)F

InChI

InChI=1S/C20H17F2NO7/c21-13-7-4-8-14(22)18(13)19(27)29-11-16(24)15(9-17(25)26)23-20(28)30-10-12-5-2-1-3-6-12/h1-8,15H,9-11H2,(H,23,28)(H,25,26)