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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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