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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCCCC#N)C=CC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OCCCC#N)/C=C/C(=O)O

InChI

InChI=1S/C14H15NO4/c1-18-12-6-4-5-11(7-8-13(16)17)14(12)19-10-3-2-9-15/h4-8H,2-3,10H2,1H3,(H,16,17)/b8-7+