ethyl 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(1,3-benzodioxol-5-yloxy)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-(1,3-benzodioxol-5-yloxy)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzodioxol-5-yloxy)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,3-benzodioxol-5-yloxy)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O6/c1-2-26-21(25)23-11-9-22(10-12-23)20(24)15-3-5-16(6-4-15)29-17-7-8-18-19(13-17)28-14-27-18/h3-8,13H,2,9-12,14H2,1H3