4-[(E)-1-cyano-2-[4-(diethylamino)-2-methoxy-phenyl]ethenyl]benzoic acid

Systemtic Name: 4-[(E)-1-cyano-2-[4-(diethylamino)-2-methoxy-phenyl]ethenyl]benzoic acid Openeye Name: 4-[(E)-1-cyano-2-[4-(diethylamino)-2-methoxy-phenyl]vinyl]benzoic acid CAS Name: 4-[(E)-1-cyano-2-[4-(diethylamino)-2-methoxyphenyl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-1-cyano-2-[4-(diethylamino)-2-methoxyphenyl]ethenyl]benzoic acid Traditional Name: 4-[(E)-1-cyano-2-[4-(diethylamino)-2-methoxy-phenyl]vinyl]benzoic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-4-23(5-2)19-11-10-17(20(13-19)26-3)12-18(14-22)15-6-8-16(9-7-15)21(24)25/h6-13H,4-5H2,1-3H3,(H,24,25)/b18-12-