6,6,6-tris(fluoranyl)-5-methoxycarbonyl-5-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 6,6,6-tris(fluoranyl)-5-methoxycarbonyl-5-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 5-(benzyloxycarbonylamino)-6,6,6-trifluoro-5-methoxycarbonyl-hexanoic acid CAS Name: 6,6,6-trifluoro-5-methoxycarbonyl-5-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 6,6,6-trifluoro-5-methoxycarbonyl-5-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 5-(benzyloxycarbonylamino)-5-carbomethoxy-6,6,6-trifluoro-hexanoic acid Formula: C16H18F3NO6 MolecularWeight: 377.31243

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCC(=O)O)(C(F)(F)F)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CCCC(=O)O)(C(F)(F)F)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H18F3NO6/c1-25-13(23)15(16(17,18)19,9-5-8-12(21)22)20-14(24)26-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,20,24)(H,21,22)