2-[(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-methylpropyl)piperazin-1-yl]benzoic acid

Systemtic Name: 2-[(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-methylpropyl)piperazin-1-yl]benzoic acid Openeye Name: 2-[(2R)-4-tert-butoxycarbonyl-2-isobutyl-piperazin-1-yl]benzoic acid CAS Name: 2-[(2R)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-(2-methylpropyl)-1-piperazinyl]benzoic acid IUPAC Name: 2-[(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-methylpropyl)piperazin-1-yl]benzoic acid Traditional Name: 2-[(2R)-4-tert-butoxycarbonyl-2-isobutyl-piperazino]benzoic acid Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CCN1C2=CC=CC=C2C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H]1CN(CCN1C2=CC=CC=C2C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H30N2O4/c1-14(2)12-15-13-21(19(25)26-20(3,4)5)10-11-22(15)17-9-7-6-8-16(17)18(23)24/h6-9,14-15H,10-13H2,1-5H3,(H,23,24)/t15-/m1/s1