methyl (E)-6-(3-acetamidophenyl)-6-pyridin-3-yl-hex-5-enoate

Systemtic Name: methyl (E)-6-(3-acetamidophenyl)-6-pyridin-3-yl-hex-5-enoate Openeye Name: methyl (E)-6-(3-acetamidophenyl)-6-(3-pyridyl)hex-5-enoate CAS Name: (E)-6-(3-acetamidophenyl)-6-(3-pyridinyl)-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-(3-acetamidophenyl)-6-pyridin-3-ylhex-5-enoate Traditional Name: (E)-6-(3-acetamidophenyl)-6-(3-pyridyl)hex-5-enoic acid methyl ester Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=CCCCC(=O)OC)C2=CN=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)/C(=C\CCCC(=O)OC)/C2=CN=CC=C2

InChI

InChI=1S/C20H22N2O3/c1-15(23)22-18-9-5-7-16(13-18)19(17-8-6-12-21-14-17)10-3-4-11-20(24)25-2/h5-10,12-14H,3-4,11H2,1-2H3,(H,22,23)/b19-10+