ethyl 4-[[5-(4-phenoxyphenyl)pyridin-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-(4-phenoxyphenyl)pyridin-3-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(4-phenoxyphenyl)-3-pyridyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-(4-phenoxyphenyl)-3-pyridinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-phenoxyphenyl)pyridin-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-(4-phenoxyphenyl)-3-pyridyl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CN=CC(=C2)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CN=CC(=C2)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-2-30-25(29)28-14-12-27(13-15-28)19-20-16-22(18-26-17-20)21-8-10-24(11-9-21)31-23-6-4-3-5-7-23/h3-11,16-18H,2,12-15,19H2,1H3