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

Systemtic Name: (2R)-2-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]butanoate Openeye Name: (2R)-2-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]butanoate CAS Name: (2R)-2-[2-[(1R)-1-ammonio-2-(4-hydroxyphenyl)ethyl]-1-benzimidazolyl]butanoate IUPAC Name: (2R)-2-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]butanoate Traditional Name: (2R)-2-[2-[(1R)-1-ammonio-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]butyrate Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c1-2-16(19(24)25)22-17-6-4-3-5-15(17)21-18(22)14(20)11-12-7-9-13(23)10-8-12/h3-10,14,16,23H,2,11,20H2,1H3,(H,24,25)/t14-,16-/m1/s1