prop-2-enyl (E)-3-azanyl-2-[6-(imidazol-1-ylmethyl)pyridin-2-yl]but-2-enoate

Systemtic Name: prop-2-enyl (E)-3-azanyl-2-[6-(imidazol-1-ylmethyl)pyridin-2-yl]but-2-enoate Openeye Name: allyl (E)-3-amino-2-[6-(imidazol-1-ylmethyl)-2-pyridyl]but-2-enoate CAS Name: (E)-3-amino-2-[6-(1-imidazolylmethyl)-2-pyridinyl]-2-butenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-3-amino-2-[6-(imidazol-1-ylmethyl)pyridin-2-yl]but-2-enoate Traditional Name: (E)-3-amino-2-[6-(imidazol-1-ylmethyl)-2-pyridyl]but-2-enoic acid allyl ester Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=NC(=CC=C1)CN2C=CN=C2)C(=O)OCC=C)N

Isomeric SMILES

C/C(=C(/C1=NC(=CC=C1)CN2C=CN=C2)\C(=O)OCC=C)/N

InChI

InChI=1S/C16H18N4O2/c1-3-9-22-16(21)15(12(2)17)14-6-4-5-13(19-14)10-20-8-7-18-11-20/h3-8,11H,1,9-10,17H2,2H3/b15-12+