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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC=CC1=NC(=CC=C1)CN2C=CN=C2)N

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2/c1-13(17)10-16(21)22-9-3-6-14-4-2-5-15(19-14)11-20-8-7-18-12-20/h2-8,10,12H,9,11,17H2,1H3/b6-3+,13-10+