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

Systemtic Name: 4-[2-[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)piperazin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[4-(2-hydroxy-1-methyl-2-oxo-ethyl)piperazin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[4-(1-hydroxy-1-oxopropan-2-yl)-1-piperazinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[4-(1-hydroxy-1-oxopropan-2-yl)piperazin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[4-(2-hydroxy-2-keto-1-methyl-ethyl)piperazino]ethyl]benzoic acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCN(CC1)CCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C(=O)O)N1CCN(CC1)CCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H22N2O4/c1-12(15(19)20)18-10-8-17(9-11-18)7-6-13-2-4-14(5-3-13)16(21)22/h2-5,12H,6-11H2,1H3,(H,19,20)(H,21,22)