octan-4-yl 4-ethyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: octan-4-yl 4-ethyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: 1-propylpentyl 4-ethyl-3-methyl-benzofuran-2-carboxylate CAS Name: 4-ethyl-3-methyl-2-benzofurancarboxylic acid octan-4-yl ester IUPAC Name: octan-4-yl 4-ethyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 4-ethyl-3-methyl-coumarilic acid 1-propylpentyl ester Formula: C20H28O3 MolecularWeight: 316.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)OC(=O)C1=C(C2=C(C=CC=C2O1)CC)C

Isomeric SMILES

CCCCC(CCC)OC(=O)C1=C(C2=C(C=CC=C2O1)CC)C

InChI

InChI=1S/C20H28O3/c1-5-8-12-16(10-6-2)22-20(21)19-14(4)18-15(7-3)11-9-13-17(18)23-19/h9,11,13,16H,5-8,10,12H2,1-4H3