methyl 4-[[[5-tert-butyl-2,3-bis(oxidanyl)phenyl]methyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[5-tert-butyl-2,3-bis(oxidanyl)phenyl]methyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(5-tert-butyl-2,3-dihydroxy-phenyl)methyl-methyl-amino]methyl]benzoate CAS Name: 4-[[(5-tert-butyl-2,3-dihydroxyphenyl)methyl-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5-tert-butyl-2,3-dihydroxyphenyl)methyl-methylamino]methyl]benzoate Traditional Name: 4-[[(5-tert-butyl-2,3-dihydroxy-benzyl)-methyl-amino]methyl]benzoic acid methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN(C)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN(C)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H27NO4/c1-21(2,3)17-10-16(19(24)18(23)11-17)13-22(4)12-14-6-8-15(9-7-14)20(25)26-5/h6-11,23-24H,12-13H2,1-5H3