methyl 2-[4-[(5-azanyl-2-morpholin-4-yl-phenyl)methoxy]-2-fluoranyl-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[4-[(5-azanyl-2-morpholin-4-yl-phenyl)methoxy]-2-fluoranyl-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylate Openeye Name: methyl 2-[4-[(5-amino-2-morpholino-phenyl)methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylate CAS Name: 2-[4-[[5-amino-2-(4-morpholinyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-[(5-amino-2-morpholin-4-ylphenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate Traditional Name: 2-[4-(5-amino-2-morpholino-benzyl)oxy-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid methyl ester Formula: C32H35FN4O4 MolecularWeight: 558.643103

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=C(C=C(C=C3)OCC4=C(C=CC(=C4)N)N5CCOCC5)F)C6CCCCC6

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=C(C=C(C=C3)OCC4=C(C=CC(=C4)N)N5CCOCC5)F)C6CCCCC6

InChI

InChI=1S/C32H35FN4O4/c1-39-32(38)21-7-11-30-28(18-21)35-31(37(30)24-5-3-2-4-6-24)26-10-9-25(19-27(26)33)41-20-22-17-23(34)8-12-29(22)36-13-15-40-16-14-36/h7-12,17-19,24H,2-6,13-16,20,34H2,1H3