methyl 2-[(3-tert-butyl-4-oxidanyl-phenyl)methyl]-1,3-benzoxazole-4-carboxylate

Systemtic Name: methyl 2-[(3-tert-butyl-4-oxidanyl-phenyl)methyl]-1,3-benzoxazole-4-carboxylate Openeye Name: methyl 2-[(3-tert-butyl-4-hydroxy-phenyl)methyl]-1,3-benzoxazole-4-carboxylate CAS Name: 2-[(3-tert-butyl-4-hydroxyphenyl)methyl]-1,3-benzoxazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-tert-butyl-4-hydroxyphenyl)methyl]-1,3-benzoxazole-4-carboxylate Traditional Name: 2-(3-tert-butyl-4-hydroxy-benzyl)-1,3-benzoxazole-4-carboxylic acid methyl ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)CC2=NC3=C(C=CC=C3O2)C(=O)OC)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)CC2=NC3=C(C=CC=C3O2)C(=O)OC)O

InChI

InChI=1S/C20H21NO4/c1-20(2,3)14-10-12(8-9-15(14)22)11-17-21-18-13(19(23)24-4)6-5-7-16(18)25-17/h5-10,22H,11H2,1-4H3