(3R)-3-(1H-benzimidazol-2-yl)-4-[(2-fluorophenyl)amino]butanoate

Systemtic Name: (3R)-3-(1H-benzimidazol-2-yl)-4-[(2-fluorophenyl)amino]butanoate Openeye Name: (3R)-3-(1H-benzimidazol-2-yl)-4-(2-fluoroanilino)butanoate CAS Name: (3R)-3-(1H-benzimidazol-2-yl)-4-(2-fluoroanilino)butanoate IUPAC Name: (3R)-3-(1H-benzimidazol-2-yl)-4-(2-fluoroanilino)butanoate Traditional Name: (3R)-3-(1H-benzimidazol-2-yl)-4-(2-fluoroanilino)butyrate Formula: C17H15FN3O2- MolecularWeight: 312.318303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(CC(=O)[O-])CNC3=CC=CC=C3F

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)[C@H](CC(=O)[O-])CNC3=CC=CC=C3F

InChI

InChI=1S/C17H16FN3O2/c18-12-5-1-2-6-13(12)19-10-11(9-16(22)23)17-20-14-7-3-4-8-15(14)21-17/h1-8,11,19H,9-10H2,(H,20,21)(H,22,23)/p-1/t11-/m1/s1