3-(1H-benzimidazol-2-yl)-3-[(4-fluorophenyl)methyl]-2-(oxidanylidenemethylidene)piperidine-1-carboxylic acid

Systemtic Name: 3-(1H-benzimidazol-2-yl)-3-[(4-fluorophenyl)methyl]-2-(oxidanylidenemethylidene)piperidine-1-carboxylic acid Openeye Name: 3-(1H-benzimidazol-2-yl)-3-[(4-fluorophenyl)methyl]-2-(oxomethylene)piperidine-1-carboxylic acid CAS Name: 3-(1H-benzimidazol-2-yl)-3-[(4-fluorophenyl)methyl]-2-(oxomethylidene)-1-piperidinecarboxylic acid IUPAC Name: 3-(1H-benzimidazol-2-yl)-3-[(4-fluorophenyl)methyl]-2-(oxomethylidene)piperidine-1-carboxylic acid Traditional Name: 3-(1H-benzimidazol-2-yl)-3-(4-fluorobenzyl)-2-(ketomethylene)piperidine-1-carboxylic acid Formula: C21H18FN3O3 MolecularWeight: 379.384323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=C=O)N(C1)C(=O)O)(CC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CC(C(=C=O)N(C1)C(=O)O)(CC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H18FN3O3/c22-15-8-6-14(7-9-15)12-21(10-3-11-25(20(27)28)18(21)13-26)19-23-16-4-1-2-5-17(16)24-19/h1-2,4-9H,3,10-12H2,(H,23,24)(H,27,28)