4-[4-[(2R)-1-oxidanylbutan-2-yl]piperazin-1-yl]benzoate

Systemtic Name: 4-[4-[(2R)-1-oxidanylbutan-2-yl]piperazin-1-yl]benzoate Openeye Name: 4-[4-[(1R)-1-(hydroxymethyl)propyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[(2R)-1-hydroxybutan-2-yl]-1-piperazinyl]benzoate IUPAC Name: 4-[4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[(1R)-1-methylolpropyl]piperazino]benzoate Formula: C15H21N2O3- MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N1CCN(CC1)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC[C@H](CO)N1CCN(CC1)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H22N2O3/c1-2-13(11-18)16-7-9-17(10-8-16)14-5-3-12(4-6-14)15(19)20/h3-6,13,18H,2,7-11H2,1H3,(H,19,20)/p-1/t13-/m1/s1