methyl 2-[[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]carbonylamino]benzoate hydrochloride

Systemtic Name: methyl 2-[[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]carbonylamino]benzoate hydrochloride Openeye Name: methyl 2-[[4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbonyl]amino]benzoate hydrochloride CAS Name: 2-[[oxo-[4-[oxo(2-oxolanyl)methyl]-1-piperazinyl]methyl]amino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]amino]benzoate hydrochloride Traditional Name: 2-[[4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbonyl]amino]benzoic acid methyl ester hydrochloride Formula: C18H24ClN3O5 MolecularWeight: 397.85326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C(=O)C3CCCO3.Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C(=O)C3CCCO3.Cl

InChI

InChI=1S/C18H23N3O5.ClH/c1-25-17(23)13-5-2-3-6-14(13)19-18(24)21-10-8-20(9-11-21)16(22)15-7-4-12-26-15;/h2-3,5-6,15H,4,7-12H2,1H3,(H,19,24);1H