butyl 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[(4-piperonylpiperazine-1-carbonyl)amino]benzoic acid butyl ester Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H29N3O5/c1-2-3-14-30-23(28)19-5-7-20(8-6-19)25-24(29)27-12-10-26(11-13-27)16-18-4-9-21-22(15-18)32-17-31-21/h4-9,15H,2-3,10-14,16-17H2,1H3,(H,25,29)