(4S,5S)-4-[(phenylmethyl)amino]hept-6-ene-1,5-diol

Systemtic Name: (4S,5S)-4-[(phenylmethyl)amino]hept-6-ene-1,5-diol Openeye Name: (4S,5S)-4-(benzylamino)hept-6-ene-1,5-diol CAS Name: (4S,5S)-4-[(phenylmethyl)amino]-6-heptene-1,5-diol IUPAC Name: (4S,5S)-4-(benzylamino)hept-6-ene-1,5-diol Traditional Name: (4S,5S)-4-(benzylamino)hept-6-ene-1,5-diol Formula: C14H21NO2 MolecularWeight: 235.32204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2/c1-2-14(17)13(9-6-10-16)15-11-12-7-4-3-5-8-12/h2-5,7-8,13-17H,1,6,9-11H2/t13-,14-/m0/s1