methyl 2-butyl-3-[4-(2-chloroethyloxymethyl)phenyl]carbonyl-1-benzofuran-5-carboxylate

Systemtic Name: methyl 2-butyl-3-[4-(2-chloroethyloxymethyl)phenyl]carbonyl-1-benzofuran-5-carboxylate Openeye Name: methyl 2-butyl-3-[4-(2-chloroethoxymethyl)benzoyl]benzofuran-5-carboxylate CAS Name: 2-butyl-3-[[4-(2-chloroethoxymethyl)phenyl]-oxomethyl]-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[4-(2-chloroethoxymethyl)benzoyl]-1-benzofuran-5-carboxylate Traditional Name: 2-butyl-3-[4-(2-chloroethoxymethyl)benzoyl]benzofuran-5-carboxylic acid methyl ester Formula: C24H25ClO5 MolecularWeight: 428.9053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)COCCCl

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)COCCCl

InChI

InChI=1S/C24H25ClO5/c1-3-4-5-21-22(19-14-18(24(27)28-2)10-11-20(19)30-21)23(26)17-8-6-16(7-9-17)15-29-13-12-25/h6-11,14H,3-5,12-13,15H2,1-2H3