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2-[(E)-2-(4-octylphenyl)ethenyl]-2-[(phenylmethyl)amino]propane-1,3-diol
2-[(E)-2-(4-octylphenyl)ethenyl]-2-[(phenylmethyl)amino]propane-1,3-diol
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCCCC1=CC=C(C=C1)C=CC(CO)(CO)NCC2=CC=CC=C2
Isomeric SMILES
CCCCCCCCC1=CC=C(C=C1)/C=C/C(CO)(CO)NCC2=CC=CC=C2
InChI
InChI=1S/C26H37NO2/c1-2-3-4-5-6-8-11-23-14-16-24(17-15-23)18-19-26(21-28,22-29)27-20-25-12-9-7-10-13-25/h7,9-10,12-19,27-29H,2-6,8,11,20-22H2,1H3/b19-18+
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