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

Systemtic Name: [(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enyl] (E)-3-azanylbut-2-enoate Openeye Name: [(E)-3-[4-(imidazol-1-ylmethyl)phenyl]allyl] (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid [(E)-3-[4-(1-imidazolylmethyl)phenyl]prop-2-enyl] ester IUPAC Name: [(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enyl] (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid [(E)-3-[4-(imidazol-1-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)CN2C=CN=C2)N

Isomeric SMILES

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

InChI

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