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

Systemtic Name: 2-[(cyclopropylcarbonylamino)methyl]-1-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylic acid Openeye Name: 2-[(cyclopropanecarbonylamino)methyl]-1-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylic acid CAS Name: 2-[[[cyclopropyl(oxo)methyl]amino]methyl]-1-[(4-fluorophenyl)methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-[(cyclopropanecarbonylamino)methyl]-1-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylic acid Traditional Name: 2-[(cyclopropanecarbonylamino)methyl]-1-(4-fluorobenzyl)benzimidazole-5-carboxylic acid Formula: C20H18FN3O3 MolecularWeight: 367.373623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NCC2=NC3=C(N2CC4=CC=C(C=C4)F)C=CC(=C3)C(=O)O

Isomeric SMILES

C1CC1C(=O)NCC2=NC3=C(N2CC4=CC=C(C=C4)F)C=CC(=C3)C(=O)O

InChI

InChI=1S/C20H18FN3O3/c21-15-6-1-12(2-7-15)11-24-17-8-5-14(20(26)27)9-16(17)23-18(24)10-22-19(25)13-3-4-13/h1-2,5-9,13H,3-4,10-11H2,(H,22,25)(H,26,27)