(3S,4S)-3-[(phenylmethyl)amino]hex-5-ene-1,4-diol

Systemtic Name: (3S,4S)-3-[(phenylmethyl)amino]hex-5-ene-1,4-diol Openeye Name: (3S,4S)-3-(benzylamino)hex-5-ene-1,4-diol CAS Name: (3S,4S)-3-[(phenylmethyl)amino]-5-hexene-1,4-diol IUPAC Name: (3S,4S)-3-(benzylamino)hex-5-ene-1,4-diol Traditional Name: (3S,4S)-3-(benzylamino)hex-5-ene-1,4-diol Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(CCO)NCC1=CC=CC=C1)O

Isomeric SMILES

C=C[C@@H]([C@H](CCO)NCC1=CC=CC=C1)O

InChI

InChI=1S/C13H19NO2/c1-2-13(16)12(8-9-15)14-10-11-6-4-3-5-7-11/h2-7,12-16H,1,8-10H2/t12-,13-/m0/s1