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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1C(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H31N3O5/c1-2-28-22(27)18-5-3-4-8-25(18)21(26)15-24-11-9-23(10-12-24)14-17-6-7-19-20(13-17)30-16-29-19/h6-7,13,18H,2-5,8-12,14-16H2,1H3/t18-/m1/s1