ethyl 3-(2-methylpropanoyl)-4-propoxy-benzoate

Systemtic Name: ethyl 3-(2-methylpropanoyl)-4-propoxy-benzoate Openeye Name: ethyl 3-(2-methylpropanoyl)-4-propoxy-benzoate CAS Name: 3-(2-methyl-1-oxopropyl)-4-propoxybenzoic acid ethyl ester IUPAC Name: ethyl 3-(2-methylpropanoyl)-4-propoxybenzoate Traditional Name: 3-isobutyryl-4-propoxy-benzoic acid ethyl ester Formula: C16H22O4 MolecularWeight: 278.34348

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC)C(=O)C(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC)C(=O)C(C)C

InChI

InChI=1S/C16H22O4/c1-5-9-20-14-8-7-12(16(18)19-6-2)10-13(14)15(17)11(3)4/h7-8,10-11H,5-6,9H2,1-4H3