2-[1-[2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]ethyl]benzimidazol-4-yl]oxypropanoic acid

Systemtic Name: 2-[1-[2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]ethyl]benzimidazol-4-yl]oxypropanoic acid Openeye Name: 2-[1-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]benzimidazol-4-yl]oxypropanoic acid CAS Name: 2-[[1-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]-4-benzimidazolyl]oxy]propanoic acid IUPAC Name: 2-[1-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]benzimidazol-4-yl]oxypropanoic acid Traditional Name: 2-[1-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]benzimidazol-4-yl]oxypropionic acid Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=CC2=C1N=CN2CCNCC(C3=CN=CC=C3)O

Isomeric SMILES

CC(C(=O)O)OC1=CC=CC2=C1N=CN2CCNCC(C3=CN=CC=C3)O

InChI

InChI=1S/C19H22N4O4/c1-13(19(25)26)27-17-6-2-5-15-18(17)22-12-23(15)9-8-21-11-16(24)14-4-3-7-20-10-14/h2-7,10,12-13,16,21,24H,8-9,11H2,1H3,(H,25,26)