2-[[1-(cyanomethyl)-2-hexyl-imidazol-4-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[1-(cyanomethyl)-2-hexyl-imidazol-4-yl]carbamoyl]benzoic acid Openeye Name: 2-[[1-(cyanomethyl)-2-hexyl-imidazol-4-yl]carbamoyl]benzoic acid CAS Name: 2-[[[1-(cyanomethyl)-2-hexyl-4-imidazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[1-(cyanomethyl)-2-hexylimidazol-4-yl]carbamoyl]benzoic acid Traditional Name: 2-[[1-(cyanomethyl)-2-hexyl-imidazol-4-yl]carbamoyl]benzoic acid Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=CN1CC#N)NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCCC1=NC(=CN1CC#N)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H22N4O3/c1-2-3-4-5-10-17-21-16(13-23(17)12-11-20)22-18(24)14-8-6-7-9-15(14)19(25)26/h6-9,13H,2-5,10,12H2,1H3,(H,22,24)(H,25,26)