4-[(E)-2-(4-butan-2-yloxy-3-chloranyl-phenyl)-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-(4-butan-2-yloxy-3-chloranyl-phenyl)-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(3-chloro-4-sec-butoxy-phenyl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[(E)-2-(4-butan-2-yloxy-3-chlorophenyl)-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(4-butan-2-yloxy-3-chlorophenyl)-1-cyanoethenyl]benzoic acid Traditional Name: 4-[(E)-2-(3-chloro-4-sec-butoxy-phenyl)-1-cyano-vinyl]benzoic acid Formula: C20H18ClNO3 MolecularWeight: 355.81482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1)/C=C(/C#N)\C2=CC=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C20H18ClNO3/c1-3-13(2)25-19-9-4-14(11-18(19)21)10-17(12-22)15-5-7-16(8-6-15)20(23)24/h4-11,13H,3H2,1-2H3,(H,23,24)/b17-10-