4-[2-methoxy-4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-piperazin-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 4-[2-methoxy-4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-piperazin-1-yl]methyl]phenyl]benzoic acid Openeye Name: 4-[4-[(4-tert-butoxycarbonyl-2-oxo-piperazin-1-yl)methyl]-2-methoxy-phenyl]benzoic acid CAS Name: 4-[2-methoxy-4-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-oxo-1-piperazinyl]methyl]phenyl]benzoic acid IUPAC Name: 4-[2-methoxy-4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]methyl]phenyl]benzoic acid Traditional Name: 4-[4-[(4-tert-butoxycarbonyl-2-keto-piperazino)methyl]-2-methoxy-phenyl]benzoic acid Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)CC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)CC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C24H28N2O6/c1-24(2,3)32-23(30)26-12-11-25(21(27)15-26)14-16-5-10-19(20(13-16)31-4)17-6-8-18(9-7-17)22(28)29/h5-10,13H,11-12,14-15H2,1-4H3,(H,28,29)