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

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

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H42N2O3/c1-28(2,3)24-18-22(19-25(26(24)32)29(4,5)6)12-13-30-14-16-31(17-15-30)20-21-8-10-23(11-9-21)27(33)34-7/h8-11,18-19,32H,12-17,20H2,1-7H3