1-[(2S,3R)-2-[(E)-pentadec-1-enyl]-3-(phenylmethoxymethyl)aziridin-1-yl]ethanone

Systemtic Name: 1-[(2S,3R)-2-[(E)-pentadec-1-enyl]-3-(phenylmethoxymethyl)aziridin-1-yl]ethanone Openeye Name: 1-[(2R,3S)-2-(benzyloxymethyl)-3-[(E)-pentadec-1-enyl]aziridin-1-yl]ethanone CAS Name: 1-[(2S,3R)-2-[(E)-pentadec-1-enyl]-3-(phenylmethoxymethyl)-1-aziridinyl]ethanone IUPAC Name: 1-[(2S,3R)-2-[(E)-pentadec-1-enyl]-3-(phenylmethoxymethyl)aziridin-1-yl]ethanone Traditional Name: 1-[(2R,3S)-2-(benzoxymethyl)-3-[(E)-pentadec-1-enyl]ethylenimin-1-yl]ethanone Formula: C27H43NO2 MolecularWeight: 413.63582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC1C(N1C(=O)C)COCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]1[C@@H](N1C(=O)C)COCC2=CC=CC=C2

InChI

InChI=1S/C27H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-26-27(28(26)24(2)29)23-30-22-25-19-16-15-17-20-25/h15-21,26-27H,3-14,22-23H2,1-2H3/b21-18+/t26-,27-,28?/m0/s1