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

Systemtic Name: (Z)-2-cyano-3-[4-methoxy-3-[2-(4-propylphenoxy)ethoxy]phenyl]prop-2-enoic acid Openeye Name: (Z)-2-cyano-3-[4-methoxy-3-[2-(4-propylphenoxy)ethoxy]phenyl]prop-2-enoic acid CAS Name: (Z)-2-cyano-3-[4-methoxy-3-[2-(4-propylphenoxy)ethoxy]phenyl]-2-propenoic acid IUPAC Name: (Z)-2-cyano-3-[4-methoxy-3-[2-(4-propylphenoxy)ethoxy]phenyl]prop-2-enoic acid Traditional Name: (Z)-2-cyano-3-[4-methoxy-3-[2-(4-propylphenoxy)ethoxy]phenyl]acrylic acid Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCCOC2=C(C=CC(=C2)C=C(C#N)C(=O)O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)OCCOC2=C(C=CC(=C2)/C=C(/C#N)\C(=O)O)OC

InChI

InChI=1S/C22H23NO5/c1-3-4-16-5-8-19(9-6-16)27-11-12-28-21-14-17(7-10-20(21)26-2)13-18(15-23)22(24)25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,25)/b18-13-