1-[(2R)-butan-2-yl]-2-[2-[(3-fluorophenyl)carbamoylamino]ethyl]benzimidazole-5-carboxylate

Systemtic Name: 1-[(2R)-butan-2-yl]-2-[2-[(3-fluorophenyl)carbamoylamino]ethyl]benzimidazole-5-carboxylate Openeye Name: 2-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-1-[(1R)-1-methylpropyl]benzimidazole-5-carboxylate CAS Name: 1-[(2R)-butan-2-yl]-2-[2-[[(3-fluoroanilino)-oxomethyl]amino]ethyl]-5-benzimidazolecarboxylate IUPAC Name: 1-[(2R)-butan-2-yl]-2-[2-[(3-fluorophenyl)carbamoylamino]ethyl]benzimidazole-5-carboxylate Traditional Name: 2-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-1-[(1R)-1-methylpropyl]benzimidazole-5-carboxylate Formula: C21H22FN4O3- MolecularWeight: 397.422783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(C=C(C=C2)C(=O)[O-])N=C1CCNC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC[C@@H](C)N1C2=C(C=C(C=C2)C(=O)[O-])N=C1CCNC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H23FN4O3/c1-3-13(2)26-18-8-7-14(20(27)28)11-17(18)25-19(26)9-10-23-21(29)24-16-6-4-5-15(22)12-16/h4-8,11-13H,3,9-10H2,1-2H3,(H,27,28)(H2,23,24,29)/p-1/t13-/m1/s1