7-[(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enoyl]-4-methyl-1,4-benzoxazin-3-one

Systemtic Name: 7-[(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enoyl]-4-methyl-1,4-benzoxazin-3-one Openeye Name: 7-[(E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enoyl]-4-methyl-1,4-benzoxazin-3-one CAS Name: 7-[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxoprop-2-enyl]-4-methyl-1,4-benzoxazin-3-one IUPAC Name: 7-[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoyl]-4-methyl-1,4-benzoxazin-3-one Traditional Name: 7-[(E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)acryloyl]-4-methyl-1,4-benzoxazin-3-one Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC(=O)C2=CC3=C(C=C2)N(C(=O)CO3)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)C2=CC3=C(C=C2)N(C(=O)CO3)C

InChI

InChI=1S/C26H31NO4/c1-25(2,3)18-12-16(13-19(24(18)30)26(4,5)6)8-11-21(28)17-9-10-20-22(14-17)31-15-23(29)27(20)7/h8-14,30H,15H2,1-7H3/b11-8+