methyl 3-[(E)-2-ethyl-3-oxidanylidene-5-phenyl-pent-4-enyl]-4-oxidanyl-benzoate

Systemtic Name: methyl 3-[(E)-2-ethyl-3-oxidanylidene-5-phenyl-pent-4-enyl]-4-oxidanyl-benzoate Openeye Name: methyl 3-[(E)-2-ethyl-3-oxo-5-phenyl-pent-4-enyl]-4-hydroxy-benzoate CAS Name: 3-[(E)-2-ethyl-3-oxo-5-phenylpent-4-enyl]-4-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-[(E)-2-ethyl-3-oxo-5-phenylpent-4-enyl]-4-hydroxybenzoate Traditional Name: 3-[(E)-2-ethyl-3-keto-5-phenyl-pent-4-enyl]-4-hydroxy-benzoic acid methyl ester Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(C=CC(=C1)C(=O)OC)O)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCC(CC1=C(C=CC(=C1)C(=O)OC)O)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H22O4/c1-3-16(19(22)11-9-15-7-5-4-6-8-15)13-18-14-17(21(24)25-2)10-12-20(18)23/h4-12,14,16,23H,3,13H2,1-2H3/b11-9+