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

Systemtic Name: ethyl 4-[4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethyl]piperazin-1-yl]benzoate Openeye Name: ethyl 4-[4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]piperazino]benzoic acid ethyl ester Formula: C29H42N2O3 MolecularWeight: 466.65538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C29H42N2O3/c1-8-34-27(33)22-9-11-23(12-10-22)31-17-15-30(16-18-31)14-13-21-19-24(28(2,3)4)26(32)25(20-21)29(5,6)7/h9-12,19-20,32H,8,13-18H2,1-7H3