[(2R)-3,3-bis(fluoranyl)-2-(phenylmethoxycarbonylamino)hex-5-enyl] hept-6-enoate

Systemtic Name: [(2R)-3,3-bis(fluoranyl)-2-(phenylmethoxycarbonylamino)hex-5-enyl] hept-6-enoate Openeye Name: [(2R)-2-(benzyloxycarbonylamino)-3,3-difluoro-hex-5-enyl] hept-6-enoate CAS Name: 6-heptenoic acid [(2R)-3,3-difluoro-2-(phenylmethoxycarbonylamino)hex-5-enyl] ester IUPAC Name: [(2R)-3,3-difluoro-2-(phenylmethoxycarbonylamino)hex-5-enyl] hept-6-enoate Traditional Name: hept-6-enoic acid [(2R)-2-(benzyloxycarbonylamino)-3,3-difluoro-hex-5-enyl] ester Formula: C21H27F2NO4 MolecularWeight: 395.440186

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCC(=O)OCC(C(CC=C)(F)F)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C=CCCCCC(=O)OC[C@H](C(CC=C)(F)F)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H27F2NO4/c1-3-5-6-10-13-19(25)27-16-18(21(22,23)14-4-2)24-20(26)28-15-17-11-8-7-9-12-17/h3-4,7-9,11-12,18H,1-2,5-6,10,13-16H2,(H,24,26)/t18-/m1/s1