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ethyl (E,6S)-6-(phenylmethoxycarbonylamino)octadec-2-enoate

ethyl (E,6S)-6-(phenylmethoxycarbonylamino)octadec-2-enoate

Systemtic Name:ethyl (E,6S)-6-(phenylmethoxycarbonylamino)octadec-2-enoate
Openeye Name:ethyl (E,6S)-6-(benzyloxycarbonylamino)octadec-2-enoate
CAS Name:(E,6S)-6-(phenylmethoxycarbonylamino)-2-octadecenoic acid ethyl ester
IUPAC Name:ethyl (E,6S)-6-(phenylmethoxycarbonylamino)octadec-2-enoate
Traditional Name:(E,6S)-6-(benzyloxycarbonylamino)octadec-2-enoic acid ethyl ester
Formula: C28H45NO4
MolecularWeight: 459.6612
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC=CC(=O)OCC)NC(=O)OCC1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCC[C@@H](CC/C=C/C(=O)OCC)NC(=O)OCC1=CC=CC=C1


InChI

InChI=1S/C28H45NO4/c1-3-5-6-7-8-9-10-11-12-16-21-26(22-17-18-23-27(30)32-4-2)29-28(31)33-24-25-19-14-13-15-20-25/h13-15,18-20,23,26H,3-12,16-17,21-22,24H2,1-2H3,(H,29,31)/b23-18+/t26-/m0/s1


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