(E)-3-[2-(3-cyanopropoxy)-5-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(3-cyanopropoxy)-5-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(3-cyanopropoxy)-5-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(3-cyanopropoxy)-5-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(3-cyanopropoxy)-5-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(3-cyanopropoxy)-5-methoxy-phenyl]acrylic acid Formula: C14H15NO4 MolecularWeight: 261.2732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCCCC#N)C=CC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OCCCC#N)/C=C/C(=O)O

InChI

InChI=1S/C14H15NO4/c1-18-12-5-6-13(19-9-3-2-8-15)11(10-12)4-7-14(16)17/h4-7,10H,2-3,9H2,1H3,(H,16,17)/b7-4+