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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-2-[(2-methylpropanoylamino)methyl]benzimidazole-5-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)methyl]-2-[(2-methylpropanoylamino)methyl]benzimidazole-5-carboxylic acid CAS Name: 1-[(4-fluorophenyl)methyl]-2-[[(2-methyl-1-oxopropyl)amino]methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)methyl]-2-[(2-methylpropanoylamino)methyl]benzimidazole-5-carboxylic acid Traditional Name: 1-(4-fluorobenzyl)-2-[(isobutyrylamino)methyl]benzimidazole-5-carboxylic acid Formula: C20H20FN3O3 MolecularWeight: 369.389503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O3/c1-12(2)19(25)22-10-18-23-16-9-14(20(26)27)5-8-17(16)24(18)11-13-3-6-15(21)7-4-13/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H,26,27)