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

Systemtic Name: 3-[[4-(2-azanyl-1-methyl-benzimidazol-4-yl)oxy-3-methyl-phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-(2-amino-1-methyl-benzimidazol-4-yl)oxy-3-methyl-benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(2-amino-1-methyl-4-benzimidazolyl)oxy]-3-methylphenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3-methylbenzoyl]amino]propanoic acid Traditional Name: 3-[[4-(2-amino-1-methyl-benzimidazol-4-yl)oxy-3-methyl-benzoyl]amino]propionic acid Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCCC(=O)O)OC2=CC=CC3=C2N=C(N3C)N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCCC(=O)O)OC2=CC=CC3=C2N=C(N3C)N

InChI

InChI=1S/C19H20N4O4/c1-11-10-12(18(26)21-9-8-16(24)25)6-7-14(11)27-15-5-3-4-13-17(15)22-19(20)23(13)2/h3-7,10H,8-9H2,1-2H3,(H2,20,22)(H,21,26)(H,24,25)