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

Systemtic Name: ethyl 4-[[5-(2,5-dimethoxyphenyl)-2-oxidanyl-phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(2,5-dimethoxyphenyl)-2-hydroxy-phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-(2,5-dimethoxyphenyl)-2-hydroxyphenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(2,5-dimethoxyphenyl)-2-hydroxyphenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[5-(2,5-dimethoxyphenyl)-2-hydroxy-benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-4-29-22(26)24-11-9-23(10-12-24)15-17-13-16(5-7-20(17)25)19-14-18(27-2)6-8-21(19)28-3/h5-8,13-14,25H,4,9-12,15H2,1-3H3