butyl (E)-3-[6-(hydroxymethyl)-3-(1-phenylethoxy)pyridin-2-yl]prop-2-enoate

Systemtic Name: butyl (E)-3-[6-(hydroxymethyl)-3-(1-phenylethoxy)pyridin-2-yl]prop-2-enoate Openeye Name: butyl (E)-3-[6-(hydroxymethyl)-3-(1-phenylethoxy)-2-pyridyl]prop-2-enoate CAS Name: (E)-3-[6-(hydroxymethyl)-3-(1-phenylethoxy)-2-pyridinyl]-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-[6-(hydroxymethyl)-3-(1-phenylethoxy)pyridin-2-yl]prop-2-enoate Traditional Name: (E)-3-[6-methylol-3-(1-phenylethoxy)-2-pyridyl]acrylic acid butyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=CC1=C(C=CC(=N1)CO)OC(C)C2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)/C=C/C1=C(C=CC(=N1)CO)OC(C)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO4/c1-3-4-14-25-21(24)13-11-19-20(12-10-18(15-23)22-19)26-16(2)17-8-6-5-7-9-17/h5-13,16,23H,3-4,14-15H2,1-2H3/b13-11+