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

Systemtic Name: 2-[(3S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid Openeye Name: 2-[(3S)-4-tert-butoxycarbonyl-3-methyl-piperazin-1-yl]benzoic acid CAS Name: 2-[(3S)-3-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[(3S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid Traditional Name: 2-[(3S)-4-tert-butoxycarbonyl-3-methyl-piperazino]benzoic acid Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OC(C)(C)C)C2=CC=CC=C2C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4/c1-12-11-18(14-8-6-5-7-13(14)15(20)21)9-10-19(12)16(22)23-17(2,3)4/h5-8,12H,9-11H2,1-4H3,(H,20,21)/t12-/m0/s1