ethyl 4-[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[cyclopentyl(piperonyl)amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C22H31N3O5/c1-2-28-22(27)24-11-9-23(10-12-24)21(26)15-25(18-5-3-4-6-18)14-17-7-8-19-20(13-17)30-16-29-19/h7-8,13,18H,2-6,9-12,14-16H2,1H3