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

Systemtic Name: (2R)-2-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]propanoate Openeye Name: (2R)-2-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]propanoate CAS Name: (2R)-2-[2-[(1R)-1-ammonio-2-(4-hydroxyphenyl)ethyl]-1-benzimidazolyl]propanoate IUPAC Name: (2R)-2-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]propanoate Traditional Name: (2R)-2-[2-[(1R)-1-ammonio-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]propionate Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1C2=CC=CC=C2N=C1C(CC3=CC=C(C=C3)O)[NH3+]

Isomeric SMILES

C[C@H](C(=O)[O-])N1C2=CC=CC=C2N=C1[C@@H](CC3=CC=C(C=C3)O)[NH3+]

InChI

InChI=1S/C18H19N3O3/c1-11(18(23)24)21-16-5-3-2-4-15(16)20-17(21)14(19)10-12-6-8-13(22)9-7-12/h2-9,11,14,22H,10,19H2,1H3,(H,23,24)/t11-,14-/m1/s1