ethyl 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylamino]hexanoate

Systemtic Name: ethyl 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylamino]hexanoate Openeye Name: ethyl 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]hexanoate CAS Name: 6-[[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]hexanoate Traditional Name: 6-[(4-piperonylpiperazine-1-carbonyl)amino]hexanoic acid ethyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5/c1-2-27-20(25)6-4-3-5-9-22-21(26)24-12-10-23(11-13-24)15-17-7-8-18-19(14-17)29-16-28-18/h7-8,14H,2-6,9-13,15-16H2,1H3,(H,22,26)