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

Systemtic Name: (E)-2-cyano-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(3-ethoxy-4-isobutoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(3-ethoxy-4-isobutoxy-phenyl)acrylic acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)O)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)O)OCC(C)C

InChI

InChI=1S/C16H19NO4/c1-4-20-15-8-12(7-13(9-17)16(18)19)5-6-14(15)21-10-11(2)3/h5-8,11H,4,10H2,1-3H3,(H,18,19)/b13-7+