methyl (E)-6-[4-(2-acetamidoethyl)phenyl]-6-pyridin-3-yl-hex-5-enoate

Systemtic Name: methyl (E)-6-[4-(2-acetamidoethyl)phenyl]-6-pyridin-3-yl-hex-5-enoate Openeye Name: methyl (E)-6-[4-(2-acetamidoethyl)phenyl]-6-(3-pyridyl)hex-5-enoate CAS Name: (E)-6-[4-(2-acetamidoethyl)phenyl]-6-(3-pyridinyl)-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[4-(2-acetamidoethyl)phenyl]-6-pyridin-3-ylhex-5-enoate Traditional Name: (E)-6-[4-(2-acetamidoethyl)phenyl]-6-(3-pyridyl)hex-5-enoic acid methyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C(=CCCCC(=O)OC)C2=CN=CC=C2

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)/C(=C\CCCC(=O)OC)/C2=CN=CC=C2

InChI

InChI=1S/C22H26N2O3/c1-17(25)24-15-13-18-9-11-19(12-10-18)21(20-6-5-14-23-16-20)7-3-4-8-22(26)27-2/h5-7,9-12,14,16H,3-4,8,13,15H2,1-2H3,(H,24,25)/b21-7+