methyl 3-[3,5-dimethyl-4-[(E)-3-oxidanylidenebut-1-enyl]phenyl]propanoate

Systemtic Name: methyl 3-[3,5-dimethyl-4-[(E)-3-oxidanylidenebut-1-enyl]phenyl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-4-[(E)-3-oxobut-1-enyl]phenyl]propanoate CAS Name: 3-[3,5-dimethyl-4-[(E)-3-oxobut-1-enyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-4-[(E)-3-oxobut-1-enyl]phenyl]propanoate Traditional Name: 3-[4-[(E)-3-ketobut-1-enyl]-3,5-dimethyl-phenyl]propionic acid methyl ester Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C=CC(=O)C)C)CCC(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1/C=C/C(=O)C)C)CCC(=O)OC

InChI

InChI=1S/C16H20O3/c1-11-9-14(6-8-16(18)19-4)10-12(2)15(11)7-5-13(3)17/h5,7,9-10H,6,8H2,1-4H3/b7-5+