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

Systemtic Name: propan-2-yl 2-butyl-3-[4-(2-chloroethyloxymethyl)phenyl]carbonyl-1-benzofuran-5-carboxylate Openeye Name: isopropyl 2-butyl-3-[4-(2-chloroethoxymethyl)benzoyl]benzofuran-5-carboxylate CAS Name: 2-butyl-3-[[4-(2-chloroethoxymethyl)phenyl]-oxomethyl]-5-benzofurancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-butyl-3-[4-(2-chloroethoxymethyl)benzoyl]-1-benzofuran-5-carboxylate Traditional Name: 2-butyl-3-[4-(2-chloroethoxymethyl)benzoyl]benzofuran-5-carboxylic acid isopropyl ester Formula: C26H29ClO5 MolecularWeight: 456.95846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClO5/c1-4-5-6-23-24(25(28)19-9-7-18(8-10-19)16-30-14-13-27)21-15-20(11-12-22(21)32-23)26(29)31-17(2)3/h7-12,15,17H,4-6,13-14,16H2,1-3H3