4-[(3-tert-butyl-5-ethyl-phenyl)methyl]-6-(hydroxymethyl)-1,4-benzoxazin-3-one

Systemtic Name: 4-[(3-tert-butyl-5-ethyl-phenyl)methyl]-6-(hydroxymethyl)-1,4-benzoxazin-3-one Openeye Name: 4-[(3-tert-butyl-5-ethyl-phenyl)methyl]-6-(hydroxymethyl)-1,4-benzoxazin-3-one CAS Name: 4-[(3-tert-butyl-5-ethylphenyl)methyl]-6-(hydroxymethyl)-1,4-benzoxazin-3-one IUPAC Name: 4-[(3-tert-butyl-5-ethylphenyl)methyl]-6-(hydroxymethyl)-1,4-benzoxazin-3-one Traditional Name: 4-(3-tert-butyl-5-ethyl-benzyl)-6-methylol-1,4-benzoxazin-3-one Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C(C)(C)C)CN2C(=O)COC3=C2C=C(C=C3)CO

Isomeric SMILES

CCC1=CC(=CC(=C1)C(C)(C)C)CN2C(=O)COC3=C2C=C(C=C3)CO

InChI

InChI=1S/C22H27NO3/c1-5-15-8-17(10-18(9-15)22(2,3)4)12-23-19-11-16(13-24)6-7-20(19)26-14-21(23)25/h6-11,24H,5,12-14H2,1-4H3