(Z)-18-cyano-N-[(2R)-1-(4-hydroxyphenyl)-3-oxidanyl-propan-2-yl]octadec-9-enamide

Systemtic Name: (Z)-18-cyano-N-[(2R)-1-(4-hydroxyphenyl)-3-oxidanyl-propan-2-yl]octadec-9-enamide Openeye Name: (Z)-18-cyano-N-[(1R)-1-(hydroxymethyl)-2-(4-hydroxyphenyl)ethyl]octadec-9-enamide CAS Name: (Z)-18-cyano-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-9-octadecenamide IUPAC Name: (Z)-18-cyano-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]octadec-9-enamide Traditional Name: (Z)-18-cyano-N-[(1R)-2-hydroxy-1-(4-hydroxybenzyl)ethyl]octadec-9-enamide Formula: C28H44N2O3 MolecularWeight: 456.66056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CO)NC(=O)CCCCCCCC=CCCCCCCCCC#N)O

Isomeric SMILES

C1=CC(=CC=C1C[C@H](CO)NC(=O)CCCCCCC/C=C\CCCCCCCCC#N)O

InChI

InChI=1S/C28H44N2O3/c29-22-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-28(33)30-26(24-31)23-25-18-20-27(32)21-19-25/h1,3,18-21,26,31-32H,2,4-17,23-24H2,(H,30,33)/b3-1-/t26-/m1/s1