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

Systemtic Name: 4-[2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-1,3-thiazol-4-yl]benzoic acid Openeye Name: 4-[2-[(4-tert-butoxycarbonylpiperazin-1-yl)methyl]thiazol-4-yl]benzoic acid CAS Name: 4-[2-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]methyl]-4-thiazolyl]benzoic acid IUPAC Name: 4-[2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-1,3-thiazol-4-yl]benzoic acid Traditional Name: 4-[2-[(4-tert-butoxycarbonylpiperazino)methyl]thiazol-4-yl]benzoic acid Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=NC(=CS2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=NC(=CS2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H25N3O4S/c1-20(2,3)27-19(26)23-10-8-22(9-11-23)12-17-21-16(13-28-17)14-4-6-15(7-5-14)18(24)25/h4-7,13H,8-12H2,1-3H3,(H,24,25)