methyl 3-(1-benzofuran-2-yl)-6-bromanyl-5-butyl-3-chloranyl-6-(hydroxymethyl)-4-imidazol-1-yl-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: methyl 3-(1-benzofuran-2-yl)-6-bromanyl-5-butyl-3-chloranyl-6-(hydroxymethyl)-4-imidazol-1-yl-cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl 3-(benzofuran-2-yl)-6-bromo-5-butyl-3-chloro-6-(hydroxymethyl)-4-imidazol-1-yl-cyclohexa-1,4-diene-1-carboxylate CAS Name: 3-(2-benzofuranyl)-6-bromo-5-butyl-3-chloro-6-(hydroxymethyl)-4-(1-imidazolyl)-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 3-(1-benzofuran-2-yl)-6-bromo-5-butyl-3-chloro-6-(hydroxymethyl)-4-imidazol-1-ylcyclohexa-1,4-diene-1-carboxylate Traditional Name: 3-(benzofuran-2-yl)-6-bromo-5-butyl-3-chloro-4-imidazol-1-yl-6-methylol-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C24H24BrClN2O4 MolecularWeight: 519.81536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(C=C(C1(CO)Br)C(=O)OC)(C2=CC3=CC=CC=C3O2)Cl)N4C=CN=C4

Isomeric SMILES

CCCCC1=C(C(C=C(C1(CO)Br)C(=O)OC)(C2=CC3=CC=CC=C3O2)Cl)N4C=CN=C4

InChI

InChI=1S/C24H24BrClN2O4/c1-3-4-8-17-21(28-11-10-27-15-28)24(26,13-18(22(30)31-2)23(17,25)14-29)20-12-16-7-5-6-9-19(16)32-20/h5-7,9-13,15,29H,3-4,8,14H2,1-2H3