1-[(2S)-2-(phenoxymethyl)aziridin-1-yl]tridecan-1-one

Systemtic Name: 1-[(2S)-2-(phenoxymethyl)aziridin-1-yl]tridecan-1-one Openeye Name: 1-[(2S)-2-(phenoxymethyl)aziridin-1-yl]tridecan-1-one CAS Name: 1-[(2S)-2-(phenoxymethyl)-1-aziridinyl]-1-tridecanone IUPAC Name: 1-[(2S)-2-(phenoxymethyl)aziridin-1-yl]tridecan-1-one Traditional Name: 1-[(2S)-2-(phenoxymethyl)ethylenimin-1-yl]tridecan-1-one Formula: C22H35NO2 MolecularWeight: 345.5188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)N1CC1COC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC(=O)N1C[C@H]1COC2=CC=CC=C2

InChI

InChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-14-17-22(24)23-18-20(23)19-25-21-15-12-11-13-16-21/h11-13,15-16,20H,2-10,14,17-19H2,1H3/t20-,23?/m0/s1