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

Systemtic Name: butyl (E)-3-[6-(hydroxymethyl)-3-phenethyloxy-pyridin-2-yl]prop-2-enoate Openeye Name: butyl (E)-3-[6-(hydroxymethyl)-3-phenethyloxy-2-pyridyl]prop-2-enoate CAS Name: (E)-3-[6-(hydroxymethyl)-3-phenethyloxy-2-pyridinyl]-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-[6-(hydroxymethyl)-3-phenethyloxypyridin-2-yl]prop-2-enoate Traditional Name: (E)-3-(6-methylol-3-phenethyloxy-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)OCCC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)/C=C/C1=C(C=CC(=N1)CO)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO4/c1-2-3-14-26-21(24)12-10-19-20(11-9-18(16-23)22-19)25-15-13-17-7-5-4-6-8-17/h4-12,23H,2-3,13-16H2,1H3/b12-10+