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

Systemtic Name: 3-azanyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid Openeye Name: 3-amino-2-(4-tert-butoxycarbonylpiperazin-1-yl)benzoic acid CAS Name: 3-amino-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid Traditional Name: 3-amino-2-(4-tert-butoxycarbonylpiperazino)benzoic acid Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=C2N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=C2N)C(=O)O

InChI

InChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)19-9-7-18(8-10-19)13-11(14(20)21)5-4-6-12(13)17/h4-6H,7-10,17H2,1-3H3,(H,20,21)