ethyl (E)-3-[4-(2-imidazol-1-ylethanoylamino)phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-(2-imidazol-1-ylethanoylamino)phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(2-imidazol-1-ylacetyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[2-(1-imidazolyl)-1-oxoethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(2-imidazol-1-ylacetyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(2-imidazol-1-ylacetyl)amino]phenyl]acrylic acid ethyl ester Formula: C16H17N3O3 MolecularWeight: 299.32448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CN2C=CN=C2

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CN2C=CN=C2

InChI

InChI=1S/C16H17N3O3/c1-2-22-16(21)8-5-13-3-6-14(7-4-13)18-15(20)11-19-10-9-17-12-19/h3-10,12H,2,11H2,1H3,(H,18,20)/b8-5+