[7-chloranyl-2-(4-methoxyphenyl)carbonyl-3-methyl-5-propyl-1-benzofuran-4-yl] 4-bromanylbenzoate

Systemtic Name: [7-chloranyl-2-(4-methoxyphenyl)carbonyl-3-methyl-5-propyl-1-benzofuran-4-yl] 4-bromanylbenzoate Openeye Name: [7-chloro-2-(4-methoxybenzoyl)-3-methyl-5-propyl-benzofuran-4-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [7-chloro-2-[(4-methoxyphenyl)-oxomethyl]-3-methyl-5-propyl-4-benzofuranyl] ester IUPAC Name: [7-chloro-2-(4-methoxybenzoyl)-3-methyl-5-propyl-1-benzofuran-4-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (7-chloro-3-methyl-2-p-anisoyl-5-propyl-benzofuran-4-yl) ester Formula: C27H22BrClO5 MolecularWeight: 541.81758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=C1OC(=O)C3=CC=C(C=C3)Br)C(=C(O2)C(=O)C4=CC=C(C=C4)OC)C)Cl

Isomeric SMILES

CCCC1=CC(=C2C(=C1OC(=O)C3=CC=C(C=C3)Br)C(=C(O2)C(=O)C4=CC=C(C=C4)OC)C)Cl

InChI

InChI=1S/C27H22BrClO5/c1-4-5-18-14-21(29)26-22(25(18)34-27(31)17-6-10-19(28)11-7-17)15(2)24(33-26)23(30)16-8-12-20(32-3)13-9-16/h6-14H,4-5H2,1-3H3