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

Systemtic Name: butyl 4-[[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[4-[oxo(2-oxolanyl)methyl]-1-piperazinyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbonyl]amino]benzoic acid butyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3CCCO3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3CCCO3

InChI

InChI=1S/C21H29N3O5/c1-2-3-14-29-20(26)16-6-8-17(9-7-16)22-21(27)24-12-10-23(11-13-24)19(25)18-5-4-15-28-18/h6-9,18H,2-5,10-15H2,1H3,(H,22,27)