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

Systemtic Name: methyl 3-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 3-[[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6/c1-29-21(27)15-5-4-6-16(13-15)23-22(28)25-11-9-24(10-12-25)20(26)19-14-30-17-7-2-3-8-18(17)31-19/h2-8,13,19H,9-12,14H2,1H3,(H,23,28)