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

Systemtic Name: 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-2-phenyl-benzoic acid Openeye Name: 4-[(4-tert-butoxycarbonylpiperazin-1-yl)methyl]-2-phenyl-benzoic acid CAS Name: 4-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]methyl]-2-phenylbenzoic acid IUPAC Name: 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-2-phenylbenzoic acid Traditional Name: 4-[(4-tert-butoxycarbonylpiperazino)methyl]-2-phenyl-benzoic acid Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O4/c1-23(2,3)29-22(28)25-13-11-24(12-14-25)16-17-9-10-19(21(26)27)20(15-17)18-7-5-4-6-8-18/h4-10,15H,11-14,16H2,1-3H3,(H,26,27)