ethyl (2E)-2-[(3-butoxyphenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2E)-2-[(3-butoxyphenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl (2E)-2-[(3-butoxyphenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-butoxyphenyl)methylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(3-butoxyphenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-butoxyphenyl)acrylic acid ethyl ester Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C=C(C(=O)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C=C(\C(=O)C)/C(=O)OCC

InChI

InChI=1S/C17H22O4/c1-4-6-10-21-15-9-7-8-14(11-15)12-16(13(3)18)17(19)20-5-2/h7-9,11-12H,4-6,10H2,1-3H3/b16-12+