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

Systemtic Name: tert-butyl 4-[3-ethoxy-4-(2-methylpropoxy)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-ethoxy-4-isobutoxy-benzoyl)piperazine-1-carboxylate CAS Name: 4-[[3-ethoxy-4-(2-methylpropoxy)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-ethoxy-4-(2-methylpropoxy)benzoyl]piperazine-1-carboxylate Traditional Name: 4-(3-ethoxy-4-isobutoxy-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H34N2O5 MolecularWeight: 406.51576

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)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)OCC(C)C

InChI

InChI=1S/C22H34N2O5/c1-7-27-19-14-17(8-9-18(19)28-15-16(2)3)20(25)23-10-12-24(13-11-23)21(26)29-22(4,5)6/h8-9,14,16H,7,10-13,15H2,1-6H3