(2E,4E,16E)-17-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)heptadeca-2,4,16-trienamide

Systemtic Name: (2E,4E,16E)-17-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)heptadeca-2,4,16-trienamide Openeye Name: (2E,4E,16E)-17-(1,3-benzodioxol-5-yl)-N-isobutyl-heptadeca-2,4,16-trienamide CAS Name: (2E,4E,16E)-17-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)heptadeca-2,4,16-trienamide IUPAC Name: (2E,4E,16E)-17-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)heptadeca-2,4,16-trienamide Traditional Name: (2E,4E,16E)-17-(1,3-benzodioxol-5-yl)-N-isobutyl-heptadeca-2,4,16-trienamide Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C=CC=CCCCCCCCCCCC=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)CNC(=O)/C=C/C=C/CCCCCCCCCC/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C28H41NO3/c1-24(2)22-29-28(30)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-25-19-20-26-27(21-25)32-23-31-26/h12,14-21,24H,3-11,13,22-23H2,1-2H3,(H,29,30)/b14-12+,17-15+,18-16+