[(E)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-enyl] (E)-3-azanylbut-2-enoate

Systemtic Name: [(E)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-enyl] (E)-3-azanylbut-2-enoate Openeye Name: [(E)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]allyl] (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid [(E)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-enyl] ester IUPAC Name: [(E)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-enyl] (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid [(E)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]allyl] ester Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC=CC1=CC=C(C=C1)CC2=NC=CN2)N

Isomeric SMILES

C/C(=C\C(=O)OC/C=C/C1=CC=C(C=C1)CC2=NC=CN2)/N

InChI

InChI=1S/C17H19N3O2/c1-13(18)11-17(21)22-10-2-3-14-4-6-15(7-5-14)12-16-19-8-9-20-16/h2-9,11H,10,12,18H2,1H3,(H,19,20)/b3-2+,13-11+