3-[[4-(2-azanyl-1-methyl-benzimidazol-4-yl)oxy-3-chloranyl-phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-(2-azanyl-1-methyl-benzimidazol-4-yl)oxy-3-chloranyl-phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-(2-amino-1-methyl-benzimidazol-4-yl)oxy-3-chloro-benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(2-amino-1-methyl-4-benzimidazolyl)oxy]-3-chlorophenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3-chlorobenzoyl]amino]propanoic acid Traditional Name: 3-[[4-(2-amino-1-methyl-benzimidazol-4-yl)oxy-3-chloro-benzoyl]amino]propionic acid Formula: C18H17ClN4O4 MolecularWeight: 388.80498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC=C2)OC3=C(C=C(C=C3)C(=O)NCCC(=O)O)Cl)N=C1N

Isomeric SMILES

CN1C2=C(C(=CC=C2)OC3=C(C=C(C=C3)C(=O)NCCC(=O)O)Cl)N=C1N

InChI

InChI=1S/C18H17ClN4O4/c1-23-12-3-2-4-14(16(12)22-18(23)20)27-13-6-5-10(9-11(13)19)17(26)21-8-7-15(24)25/h2-6,9H,7-8H2,1H3,(H2,20,22)(H,21,26)(H,24,25)