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

Systemtic Name: 6-[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(4-isoamoxy-3-methoxy-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5/c1-15(2)10-11-28-21-8-5-16(12-22(21)27-3)4-7-19(25)17-6-9-20-18(13-17)24-23(26)14-29-20/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,24,26)/b7-4+