methyl (E)-3-[6-(chloromethyl)-3-(4-phenylbutoxy)pyridin-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[6-(chloromethyl)-3-(4-phenylbutoxy)pyridin-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[6-(chloromethyl)-3-(4-phenylbutoxy)-2-pyridyl]prop-2-enoate CAS Name: (E)-3-[6-(chloromethyl)-3-(4-phenylbutoxy)-2-pyridinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[6-(chloromethyl)-3-(4-phenylbutoxy)pyridin-2-yl]prop-2-enoate Traditional Name: (E)-3-[6-(chloromethyl)-3-(4-phenylbutoxy)-2-pyridyl]acrylic acid methyl ester Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C(C=CC(=N1)CCl)OCCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)/C=C/C1=C(C=CC(=N1)CCl)OCCCCC2=CC=CC=C2

InChI

InChI=1S/C20H22ClNO3/c1-24-20(23)13-11-18-19(12-10-17(15-21)22-18)25-14-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,10-13H,5-6,9,14-15H2,1H3/b13-11+