tert-butyl 4-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-ethoxy-4-(4-pyridylmethoxy)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-ethoxy-4-(4-pyridylmethoxy)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H31N3O5 MolecularWeight: 441.52004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)OCC3=CC=NC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)OCC3=CC=NC=C3

InChI

InChI=1S/C24H31N3O5/c1-5-30-21-16-19(6-7-20(21)31-17-18-8-10-25-11-9-18)22(28)26-12-14-27(15-13-26)23(29)32-24(2,3)4/h6-11,16H,5,12-15,17H2,1-4H3