butyl 4-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbonyl]amino]benzoic acid butyl ester Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C25H29N3O6/c1-2-3-16-32-24(30)18-8-10-19(11-9-18)26-25(31)28-14-12-27(13-15-28)23(29)22-17-33-20-6-4-5-7-21(20)34-22/h4-11,22H,2-3,12-17H2,1H3,(H,26,31)