methyl (E)-8-chloranyl-4-(3-pyridin-3-ylphenyl)oct-2-enoate

Systemtic Name: methyl (E)-8-chloranyl-4-(3-pyridin-3-ylphenyl)oct-2-enoate Openeye Name: methyl (E)-8-chloro-4-[3-(3-pyridyl)phenyl]oct-2-enoate CAS Name: (E)-8-chloro-4-[3-(3-pyridinyl)phenyl]-2-octenoic acid methyl ester IUPAC Name: methyl (E)-8-chloro-4-(3-pyridin-3-ylphenyl)oct-2-enoate Traditional Name: (E)-8-chloro-4-[3-(3-pyridyl)phenyl]oct-2-enoic acid methyl ester Formula: C20H22ClNO2 MolecularWeight: 343.84718

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(CCCCCl)C1=CC=CC(=C1)C2=CN=CC=C2

Isomeric SMILES

COC(=O)/C=C/C(CCCCCl)C1=CC=CC(=C1)C2=CN=CC=C2

InChI

InChI=1S/C20H22ClNO2/c1-24-20(23)11-10-16(6-2-3-12-21)17-7-4-8-18(14-17)19-9-5-13-22-15-19/h4-5,7-11,13-16H,2-3,6,12H2,1H3/b11-10+