2-[(butanoylamino)methyl]-1-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylic acid

Systemtic Name: 2-[(butanoylamino)methyl]-1-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylic acid Openeye Name: 2-[(butanoylamino)methyl]-1-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylic acid CAS Name: 1-[(4-fluorophenyl)methyl]-2-[(1-oxobutylamino)methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-[(butanoylamino)methyl]-1-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylic acid Traditional Name: 2-(butyramidomethyl)-1-(4-fluorobenzyl)benzimidazole-5-carboxylic acid Formula: C20H20FN3O3 MolecularWeight: 369.389503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC1=NC2=C(N1CC3=CC=C(C=C3)F)C=CC(=C2)C(=O)O

Isomeric SMILES

CCCC(=O)NCC1=NC2=C(N1CC3=CC=C(C=C3)F)C=CC(=C2)C(=O)O

InChI

InChI=1S/C20H20FN3O3/c1-2-3-19(25)22-11-18-23-16-10-14(20(26)27)6-9-17(16)24(18)12-13-4-7-15(21)8-5-13/h4-10H,2-3,11-12H2,1H3,(H,22,25)(H,26,27)