(Z)-2-cyano-3-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]prop-2-enoic acid

Systemtic Name: (Z)-2-cyano-3-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]prop-2-enoic acid Openeye Name: (Z)-2-cyano-3-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]prop-2-enoic acid CAS Name: (Z)-2-cyano-3-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]-2-propenoic acid IUPAC Name: (Z)-2-cyano-3-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]prop-2-enoic acid Traditional Name: (Z)-2-cyano-3-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]acrylic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)O)OCCOC2=CC=CC=C2C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)O)OCCOC2=CC=CC=C2C

InChI

InChI=1S/C21H21NO5/c1-3-25-20-13-16(12-17(14-22)21(23)24)8-9-19(20)27-11-10-26-18-7-5-4-6-15(18)2/h4-9,12-13H,3,10-11H2,1-2H3,(H,23,24)/b17-12-