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

Systemtic Name: 6-[(E)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(3-isobutoxy-4-methoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(3-isobutoxy-4-methoxy-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=CC(=C1)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)OC

Isomeric SMILES

CC(C)COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3)OC

InChI

InChI=1S/C22H23NO5/c1-14(2)12-27-21-10-15(5-8-20(21)26-3)4-7-18(24)16-6-9-19-17(11-16)23-22(25)13-28-19/h4-11,14H,12-13H2,1-3H3,(H,23,25)/b7-4+