3-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]propanoate

Systemtic Name: 3-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]propanoate Openeye Name: 3-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]propanoate CAS Name: 3-[2-[(1R)-1-ammonio-2-(4-hydroxyphenyl)ethyl]-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]propanoate Traditional Name: 3-[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:

C1=CC=C2C(=C1)N=C(N2CCC(=O)[O-])C(CC3=CC=C(C=C3)O)[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCC(=O)[O-])[C@@H](CC3=CC=C(C=C3)O)[NH3+]

InChI

InChI=1S/C18H19N3O3/c19-14(11-12-5-7-13(22)8-6-12)18-20-15-3-1-2-4-16(15)21(18)10-9-17(23)24/h1-8,14,22H,9-11,19H2,(H,23,24)/t14-/m1/s1