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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1C(=O)OC(C)(C)C)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4/c1-5-6-7-17-14-21(16-10-8-15(9-11-16)18(23)24)12-13-22(17)19(25)26-20(2,3)4/h8-11,17H,5-7,12-14H2,1-4H3,(H,23,24)/t17-/m0/s1