ethyl 4-[[5-(1,3-benzodioxol-5-yl)-2-oxidanyl-phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-(1,3-benzodioxol-5-yl)-2-oxidanyl-phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(1,3-benzodioxol-5-yl)-2-hydroxy-phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-(1,3-benzodioxol-5-yl)-2-hydroxyphenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(1,3-benzodioxol-5-yl)-2-hydroxyphenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[5-(1,3-benzodioxol-5-yl)-2-hydroxy-benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=C(C=CC(=C2)C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=C(C=CC(=C2)C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C21H24N2O5/c1-2-26-21(25)23-9-7-22(8-10-23)13-17-11-15(3-5-18(17)24)16-4-6-19-20(12-16)28-14-27-19/h3-6,11-12,24H,2,7-10,13-14H2,1H3