4-[[4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethyl]piperazin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethyl]piperazin-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]piperazin-1-yl]methyl]benzoic acid CAS Name: 4-[[4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[[4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]piperazin-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]piperazino]methyl]benzoic acid Formula: C28H40N2O3 MolecularWeight: 452.6288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCN2CCN(CC2)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCN2CCN(CC2)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C28H40N2O3/c1-27(2,3)23-17-21(18-24(25(23)31)28(4,5)6)11-12-29-13-15-30(16-14-29)19-20-7-9-22(10-8-20)26(32)33/h7-10,17-18,31H,11-16,19H2,1-6H3,(H,32,33)