(phenylmethyl) (E)-3-[6-azanyl-5-(hydroxymethyl)pyridin-3-yl]prop-2-enoate

Systemtic Name: (phenylmethyl) (E)-3-[6-azanyl-5-(hydroxymethyl)pyridin-3-yl]prop-2-enoate Openeye Name: benzyl (E)-3-[6-amino-5-(hydroxymethyl)-3-pyridyl]prop-2-enoate CAS Name: (E)-3-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-3-[6-amino-5-(hydroxymethyl)pyridin-3-yl]prop-2-enoate Traditional Name: (E)-3-(6-amino-5-methylol-3-pyridyl)acrylic acid benzyl ester Formula: C16H16N2O3 MolecularWeight: 284.30984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C=CC2=CC(=C(N=C2)N)CO

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/C=C/C2=CC(=C(N=C2)N)CO

InChI

InChI=1S/C16H16N2O3/c17-16-14(10-19)8-13(9-18-16)6-7-15(20)21-11-12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H2,17,18)/b7-6+