6-[(E)-3-[4-(3-methylbutoxy)phenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(E)-3-[4-(3-methylbutoxy)phenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(4-isopentyloxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-[4-(3-methylbutoxy)phenyl]-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-[4-(3-methylbutoxy)phenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(4-isoamoxyphenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C22H23NO4/c1-15(2)11-12-26-18-7-3-16(4-8-18)5-9-20(24)17-6-10-21-19(13-17)23-22(25)14-27-21/h3-10,13,15H,11-12,14H2,1-2H3,(H,23,25)/b9-5+