methyl (E)-6-(5-chloranyl-2-methoxy-phenyl)-6-(3-cyanophenyl)hex-5-enoate

Systemtic Name: methyl (E)-6-(5-chloranyl-2-methoxy-phenyl)-6-(3-cyanophenyl)hex-5-enoate Openeye Name: methyl (E)-6-(5-chloro-2-methoxy-phenyl)-6-(3-cyanophenyl)hex-5-enoate CAS Name: (E)-6-(5-chloro-2-methoxyphenyl)-6-(3-cyanophenyl)-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-(5-chloro-2-methoxyphenyl)-6-(3-cyanophenyl)hex-5-enoate Traditional Name: (E)-6-(5-chloro-2-methoxy-phenyl)-6-(3-cyanophenyl)hex-5-enoic acid methyl ester Formula: C21H20ClNO3 MolecularWeight: 369.8414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=CCCCC(=O)OC)C2=CC=CC(=C2)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)/C(=C/CCCC(=O)OC)/C2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H20ClNO3/c1-25-20-11-10-17(22)13-19(20)18(8-3-4-9-21(24)26-2)16-7-5-6-15(12-16)14-23/h5-8,10-13H,3-4,9H2,1-2H3/b18-8+