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

Systemtic Name: 4-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[(3S)-4-tert-butoxycarbonyl-3-isobutyl-piperazin-1-yl]benzoic acid CAS Name: 4-[(3S)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-(2-methylpropyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[(3S)-4-tert-butoxycarbonyl-3-isobutyl-piperazino]benzoic acid Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CCN1C(=O)OC(C)(C)C)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4/c1-14(2)12-17-13-21(16-8-6-15(7-9-16)18(23)24)10-11-22(17)19(25)26-20(3,4)5/h6-9,14,17H,10-13H2,1-5H3,(H,23,24)/t17-/m0/s1