2-[4-(1-oxidanyl-1-oxidanylidene-2-piperazin-1-yl-propan-2-yl)phenyl]benzoic acid

Systemtic Name: 2-[4-(1-oxidanyl-1-oxidanylidene-2-piperazin-1-yl-propan-2-yl)phenyl]benzoic acid Openeye Name: 2-[4-(2-hydroxy-1-methyl-2-oxo-1-piperazin-1-yl-ethyl)phenyl]benzoic acid CAS Name: 2-[4-[1-hydroxy-1-oxo-2-(1-piperazinyl)propan-2-yl]phenyl]benzoic acid IUPAC Name: 2-[4-(1-hydroxy-1-oxo-2-piperazin-1-ylpropan-2-yl)phenyl]benzoic acid Traditional Name: 2-[4-(2-hydroxy-2-keto-1-methyl-1-piperazino-ethyl)phenyl]benzoic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O)(C(=O)O)N3CCNCC3

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O)(C(=O)O)N3CCNCC3

InChI

InChI=1S/C20H22N2O4/c1-20(19(25)26,22-12-10-21-11-13-22)15-8-6-14(7-9-15)16-4-2-3-5-17(16)18(23)24/h2-9,21H,10-13H2,1H3,(H,23,24)(H,25,26)