ethyl (E,5S,6S)-6-(4-fluorophenyl)-5-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate

Systemtic Name: ethyl (E,5S,6S)-6-(4-fluorophenyl)-5-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate Openeye Name: ethyl (E,5S,6S)-6-(tert-butoxycarbonylamino)-6-(4-fluorophenyl)-5-(hydroxymethyl)hex-2-enoate CAS Name: (E,5S,6S)-6-(4-fluorophenyl)-5-(hydroxymethyl)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,5S,6S)-6-(4-fluorophenyl)-5-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate Traditional Name: (E,5S,6S)-6-(tert-butoxycarbonylamino)-6-(4-fluorophenyl)-5-methylol-hex-2-enoic acid ethyl ester Formula: C20H28FNO5 MolecularWeight: 381.438423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCC(CO)C(C1=CC=C(C=C1)F)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)/C=C/C[C@H](CO)[C@@H](C1=CC=C(C=C1)F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H28FNO5/c1-5-26-17(24)8-6-7-15(13-23)18(14-9-11-16(21)12-10-14)22-19(25)27-20(2,3)4/h6,8-12,15,18,23H,5,7,13H2,1-4H3,(H,22,25)/b8-6+/t15-,18-/m1/s1