(E,2S,3R)-2-azanyl-5-(4-methylphenyl)pent-4-ene-1,3-diol

Systemtic Name: (E,2S,3R)-2-azanyl-5-(4-methylphenyl)pent-4-ene-1,3-diol Openeye Name: (E,2S,3R)-2-amino-5-(p-tolyl)pent-4-ene-1,3-diol CAS Name: (E,2S,3R)-2-amino-5-(4-methylphenyl)-4-pentene-1,3-diol IUPAC Name: (E,2S,3R)-2-amino-5-(4-methylphenyl)pent-4-ene-1,3-diol Traditional Name: (E,2S,3R)-2-amino-5-(p-tolyl)pent-4-ene-1,3-diol Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(C(CO)N)O

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/[C@H]([C@H](CO)N)O

InChI

InChI=1S/C12H17NO2/c1-9-2-4-10(5-3-9)6-7-12(15)11(13)8-14/h2-7,11-12,14-15H,8,13H2,1H3/b7-6+/t11-,12+/m0/s1