ethyl 6-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-benzimidazol-2-yl]cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 6-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-benzimidazol-2-yl]cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 6-[1-[(4-chlorophenyl)methyl]-5-fluoro-benzimidazol-2-yl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[1-[(4-chlorophenyl)methyl]-5-fluoro-2-benzimidazolyl]-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[1-(4-chlorobenzyl)-5-fluoro-benzimidazol-2-yl]cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C23H22ClFN2O2 MolecularWeight: 412.884383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC=CCC1C2=NC3=C(N2CC4=CC=C(C=C4)Cl)C=CC(=C3)F

Isomeric SMILES

CCOC(=O)C1CC=CCC1C2=NC3=C(N2CC4=CC=C(C=C4)Cl)C=CC(=C3)F

InChI

InChI=1S/C23H22ClFN2O2/c1-2-29-23(28)19-6-4-3-5-18(19)22-26-20-13-17(25)11-12-21(20)27(22)14-15-7-9-16(24)10-8-15/h3-4,7-13,18-19H,2,5-6,14H2,1H3