(E)-2-cyano-3-[4-(octoxymethoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-[4-(octoxymethoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[4-(octoxymethoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[4-(octoxymethoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[4-(octoxymethoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[4-(octoxymethoxy)phenyl]acrylic acid Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCOC1=CC=C(C=C1)C=C(C#N)C(=O)O

Isomeric SMILES

CCCCCCCCOCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C19H25NO4/c1-2-3-4-5-6-7-12-23-15-24-18-10-8-16(9-11-18)13-17(14-20)19(21)22/h8-11,13H,2-7,12,15H2,1H3,(H,21,22)/b17-13+