2-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]ethanoate

Systemtic Name: 2-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[(1R)-1-ammonio-2-(4-hydroxyphenyl)ethyl]-1-benzimidazolyl]acetate IUPAC Name: 2-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(1R)-1-ammonio-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]acetate Formula: C17H17N3O3 MolecularWeight: 311.33518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC(=O)[O-])C(CC3=CC=C(C=C3)O)[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC(=O)[O-])[C@@H](CC3=CC=C(C=C3)O)[NH3+]

InChI

InChI=1S/C17H17N3O3/c18-13(9-11-5-7-12(21)8-6-11)17-19-14-3-1-2-4-15(14)20(17)10-16(22)23/h1-8,13,21H,9-10,18H2,(H,22,23)/t13-/m1/s1