3-[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 2-hydroxy-3-[(E)-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enoyl]-6-methyl-pyran-4-one CAS Name: 2-hydroxy-3-[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-oxoprop-2-enyl]-6-methyl-4-pyranone IUPAC Name: 2-hydroxy-3-[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]-6-methylpyran-4-one Traditional Name: 2-hydroxy-3-[(E)-3-(4-isoamoxy-3-methoxy-phenyl)acryloyl]-6-methyl-pyran-4-one Formula: C21H24O6 MolecularWeight: 372.41166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)C(=O)C=CC2=CC(=C(C=C2)OCCC(C)C)OC

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C(=O)/C=C/C2=CC(=C(C=C2)OCCC(C)C)OC

InChI

InChI=1S/C21H24O6/c1-13(2)9-10-26-18-8-6-15(12-19(18)25-4)5-7-16(22)20-17(23)11-14(3)27-21(20)24/h5-8,11-13,24H,9-10H2,1-4H3/b7-5+