(2S,3R)-2-azanyl-4-(4-octylphenyl)butane-1,3-diol

Systemtic Name: (2S,3R)-2-azanyl-4-(4-octylphenyl)butane-1,3-diol Openeye Name: (2S,3R)-2-amino-4-(4-octylphenyl)butane-1,3-diol CAS Name: (2S,3R)-2-amino-4-(4-octylphenyl)butane-1,3-diol IUPAC Name: (2S,3R)-2-amino-4-(4-octylphenyl)butane-1,3-diol Traditional Name: (2S,3R)-2-amino-4-(4-octylphenyl)butane-1,3-diol Formula: C18H31NO2 MolecularWeight: 293.44424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CC(C(CO)N)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C[C@H]([C@H](CO)N)O

InChI

InChI=1S/C18H31NO2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)13-18(21)17(19)14-20/h9-12,17-18,20-21H,2-8,13-14,19H2,1H3/t17-,18+/m0/s1