ethyl 4-[5-[[1,3-benzodioxol-5-ylmethyl-(phenylmethyl)amino]methyl]furan-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-[[1,3-benzodioxol-5-ylmethyl-(phenylmethyl)amino]methyl]furan-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-[[1,3-benzodioxol-5-ylmethyl-(phenylmethyl)amino]methyl]-2-furanyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-[[benzyl(piperonyl)amino]methyl]-2-furoyl]piperazine-1-carboxylic acid ethyl ester Formula: C28H31N3O6 MolecularWeight: 505.56224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)CN(CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)CN(CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H31N3O6/c1-2-34-28(33)31-14-12-30(13-15-31)27(32)25-11-9-23(37-25)19-29(17-21-6-4-3-5-7-21)18-22-8-10-24-26(16-22)36-20-35-24/h3-11,16H,2,12-15,17-20H2,1H3