ethyl 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-piperonylpiperazino)acetyl]isonipecotic acid ethyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H31N3O5/c1-2-28-22(27)18-5-7-25(8-6-18)21(26)15-24-11-9-23(10-12-24)14-17-3-4-19-20(13-17)30-16-29-19/h3-4,13,18H,2,5-12,14-16H2,1H3