ethyl 4-[(E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-3-[4-(2-pyridylmethoxy)phenyl]prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-1-oxo-3-[4-(2-pyridinylmethoxy)phenyl]prop-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-[4-(2-pyridylmethoxy)phenyl]acryloyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)OCC3=CC=CC=N3

InChI

InChI=1S/C22H25N3O4/c1-2-28-22(27)25-15-13-24(14-16-25)21(26)11-8-18-6-9-20(10-7-18)29-17-19-5-3-4-12-23-19/h3-12H,2,13-17H2,1H3/b11-8+