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

Systemtic Name: 4-[4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyl]piperazino]benzoic acid Formula: C28H38N2O4 MolecularWeight: 466.61232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C28H38N2O4/c1-27(2,3)22-17-19(18-23(25(22)32)28(4,5)6)7-12-24(31)30-15-13-29(14-16-30)21-10-8-20(9-11-21)26(33)34/h8-11,17-18,32H,7,12-16H2,1-6H3,(H,33,34)