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

Systemtic Name: (E)-2-cyano-3-[4-(3-methylbutoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(4-isopentyloxyphenyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-[4-(3-methylbutoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[4-(3-methylbutoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(4-isoamoxyphenyl)acrylic acid Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO3/c1-11(2)7-8-19-14-5-3-12(4-6-14)9-13(10-16)15(17)18/h3-6,9,11H,7-8H2,1-2H3,(H,17,18)/b13-9+