ethyl (E)-2-oxidanylidene-4-(4-pentylphenyl)but-3-enoate

Systemtic Name: ethyl (E)-2-oxidanylidene-4-(4-pentylphenyl)but-3-enoate Openeye Name: ethyl (E)-2-oxo-4-(4-pentylphenyl)but-3-enoate CAS Name: (E)-2-oxo-4-(4-pentylphenyl)-3-butenoic acid ethyl ester IUPAC Name: ethyl (E)-2-oxo-4-(4-pentylphenyl)but-3-enoate Traditional Name: (E)-4-(4-amylphenyl)-2-keto-but-3-enoic acid ethyl ester Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C=CC(=O)C(=O)OCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)/C=C/C(=O)C(=O)OCC

InChI

InChI=1S/C17H22O3/c1-3-5-6-7-14-8-10-15(11-9-14)12-13-16(18)17(19)20-4-2/h8-13H,3-7H2,1-2H3/b13-12+