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

Systemtic Name: (2R)-2-[2-[(1R)-1-azaniumyl-2-phenyl-ethyl]benzimidazol-1-yl]propanoate Openeye Name: (2R)-2-[2-[(1R)-1-azaniumyl-2-phenyl-ethyl]benzimidazol-1-yl]propanoate CAS Name: (2R)-2-[2-[(1R)-1-ammonio-2-phenylethyl]-1-benzimidazolyl]propanoate IUPAC Name: (2R)-2-[2-[(1R)-1-azaniumyl-2-phenylethyl]benzimidazol-1-yl]propanoate Traditional Name: (2R)-2-[2-[(1R)-1-ammonio-2-phenyl-ethyl]benzimidazol-1-yl]propionate Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2/c1-12(18(22)23)21-16-10-6-5-9-15(16)20-17(21)14(19)11-13-7-3-2-4-8-13/h2-10,12,14H,11,19H2,1H3,(H,22,23)/t12-,14-/m1/s1