(E,2S,3R)-2-[(phenylmethyl)amino]octadec-4-ene-1,3-diol

Systemtic Name: (E,2S,3R)-2-[(phenylmethyl)amino]octadec-4-ene-1,3-diol Openeye Name: (E,2S,3R)-2-(benzylamino)octadec-4-ene-1,3-diol CAS Name: (E,2S,3R)-2-[(phenylmethyl)amino]-4-octadecene-1,3-diol IUPAC Name: (E,2S,3R)-2-(benzylamino)octadec-4-ene-1,3-diol Traditional Name: (E,2S,3R)-2-(benzylamino)octadec-4-ene-1,3-diol Formula: C25H43NO2 MolecularWeight: 389.61442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NCC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NCC1=CC=CC=C1)O

InChI

InChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(28)24(22-27)26-21-23-18-15-14-16-19-23/h14-20,24-28H,2-13,21-22H2,1H3/b20-17+/t24-,25+/m0/s1