4-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]benzoic acid Openeye Name: 4-(4-isobutoxycarbonylpiperazin-1-yl)benzoic acid CAS Name: 4-[4-[2-methylpropoxy(oxo)methyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]benzoic acid Traditional Name: 4-(4-isobutoxycarbonylpiperazino)benzoic acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)COC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H22N2O4/c1-12(2)11-22-16(21)18-9-7-17(8-10-18)14-5-3-13(4-6-14)15(19)20/h3-6,12H,7-11H2,1-2H3,(H,19,20)