2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-propyl-piperazin-1-yl]benzoic acid

Systemtic Name: 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-propyl-piperazin-1-yl]benzoic acid Openeye Name: 2-[(3S)-4-tert-butoxycarbonyl-3-propyl-piperazin-1-yl]benzoic acid CAS Name: 2-[(3S)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-propyl-1-piperazinyl]benzoic acid IUPAC Name: 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-propylpiperazin-1-yl]benzoic acid Traditional Name: 2-[(3S)-4-tert-butoxycarbonyl-3-propyl-piperazino]benzoic acid Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CN(CCN1C(=O)OC(C)(C)C)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCC[C@H]1CN(CCN1C(=O)OC(C)(C)C)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H28N2O4/c1-5-8-14-13-20(16-10-7-6-9-15(16)17(22)23)11-12-21(14)18(24)25-19(2,3)4/h6-7,9-10,14H,5,8,11-13H2,1-4H3,(H,22,23)/t14-/m0/s1