[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 2-hydroxy-3,5-diisopropyl-benzoate CAS Name: 2-hydroxy-3,5-di(propan-2-yl)benzoic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate Traditional Name: 2-hydroxy-3,5-diisopropyl-benzoic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C)O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C)O)C(C)C

InChI

InChI=1S/C21H30N2O5/c1-13(2)16-10-17(14(3)4)20(26)18(11-16)21(27)28-12-19(25)23-8-6-22(7-9-23)15(5)24/h10-11,13-14,26H,6-9,12H2,1-5H3