ethyl (E)-3-[4-(imidazol-1-ylmethyl)phenyl]but-2-enoate

Systemtic Name: ethyl (E)-3-[4-(imidazol-1-ylmethyl)phenyl]but-2-enoate Openeye Name: ethyl (E)-3-[4-(imidazol-1-ylmethyl)phenyl]but-2-enoate CAS Name: (E)-3-[4-(1-imidazolylmethyl)phenyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(imidazol-1-ylmethyl)phenyl]but-2-enoate Traditional Name: (E)-3-[4-(imidazol-1-ylmethyl)phenyl]but-2-enoic acid ethyl ester Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2/c1-3-20-16(19)10-13(2)15-6-4-14(5-7-15)11-18-9-8-17-12-18/h4-10,12H,3,11H2,1-2H3/b13-10+