(E)-2-cyano-3-(4-octan-3-yl-1,3-benzodioxol-5-yl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(4-octan-3-yl-1,3-benzodioxol-5-yl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[4-(1-ethylhexyl)-1,3-benzodioxol-5-yl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-(4-octan-3-yl-1,3-benzodioxol-5-yl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(4-octan-3-yl-1,3-benzodioxol-5-yl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[4-(1-ethylhexyl)-1,3-benzodioxol-5-yl]acrylic acid Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C=CC2=C1OCO2)C=C(C#N)C(=O)O

Isomeric SMILES

CCCCCC(CC)C1=C(C=CC2=C1OCO2)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C19H23NO4/c1-3-5-6-7-13(4-2)17-14(10-15(11-20)19(21)22)8-9-16-18(17)24-12-23-16/h8-10,13H,3-7,12H2,1-2H3,(H,21,22)/b15-10+