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

Systemtic Name: 2-[(3S)-3-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid Openeye Name: 2-[(3S)-4-tert-butoxycarbonyl-3-butyl-piperazin-1-yl]benzoic acid CAS Name: 2-[(3S)-3-butyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[(3S)-3-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid Traditional Name: 2-[(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=CC=C2C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4/c1-5-6-9-15-14-21(17-11-8-7-10-16(17)18(23)24)12-13-22(15)19(25)26-20(2,3)4/h7-8,10-11,15H,5-6,9,12-14H2,1-4H3,(H,23,24)/t15-/m0/s1