4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-2-one; ethanedioic acid

Systemtic Name: 4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-2-one; ethanedioic acid Openeye Name: 4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperazin-2-one; oxalic acid CAS Name: 4-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-2-piperazinone; oxalic acid IUPAC Name: 4-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]piperazin-2-one; oxalic acid Traditional Name: 4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperazin-2-one; oxalic acid Formula: C20H30N2O7 MolecularWeight: 410.4614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2CCNC(=O)C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2CCNC(=O)C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O3.C2H2O4/c1-13-9-14(18(2,3)4)5-6-16(13)23-12-15(21)10-20-8-7-19-17(22)11-20;3-1(4)2(5)6/h5-6,9,15,21H,7-8,10-12H2,1-4H3,(H,19,22);(H,3,4)(H,5,6)