3-[[4-[2-[(4-bromophenyl)amino]-1-methyl-benzimidazol-5-yl]oxypyridin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[2-[(4-bromophenyl)amino]-1-methyl-benzimidazol-5-yl]oxypyridin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[2-(4-bromoanilino)-1-methyl-benzimidazol-5-yl]oxypyridine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[4-[[2-(4-bromoanilino)-1-methyl-5-benzimidazolyl]oxy]-2-pyridinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[4-[2-(4-bromoanilino)-1-methyl-benzimidazol-5-yl]oxypicolinoyl]amino]propionic acid Formula: C23H20BrN5O4 MolecularWeight: 510.34

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)NCCC(=O)O)N=C1NC4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)NCCC(=O)O)N=C1NC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrN5O4/c1-29-20-7-6-16(12-18(20)28-23(29)27-15-4-2-14(24)3-5-15)33-17-8-10-25-19(13-17)22(32)26-11-9-21(30)31/h2-8,10,12-13H,9,11H2,1H3,(H,26,32)(H,27,28)(H,30,31)