tert-butyl 4-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-ethoxy-4-(2-phenoxyethoxy)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-ethoxy-4-(2-phenoxyethoxy)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-ethoxy-4-(2-phenoxyethoxy)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H34N2O6 MolecularWeight: 470.55796

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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)OCCOC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)OCCOC3=CC=CC=C3

InChI

InChI=1S/C26H34N2O6/c1-5-31-23-19-20(11-12-22(23)33-18-17-32-21-9-7-6-8-10-21)24(29)27-13-15-28(16-14-27)25(30)34-26(2,3)4/h6-12,19H,5,13-18H2,1-4H3