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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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