3-[6-(2-azanyl-1-methyl-benzimidazol-4-yl)oxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]propanoic acid

Systemtic Name: 3-[6-(2-azanyl-1-methyl-benzimidazol-4-yl)oxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]propanoic acid Openeye Name: 3-[6-(2-amino-1-methyl-benzimidazol-4-yl)oxy-5,7-dimethoxy-chroman-2-yl]propanoic acid CAS Name: 3-[6-[(2-amino-1-methyl-4-benzimidazolyl)oxy]-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[6-(2-amino-1-methylbenzimidazol-4-yl)oxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]propanoic acid Traditional Name: 3-[6-(2-amino-1-methyl-benzimidazol-4-yl)oxy-5,7-dimethoxy-chroman-2-yl]propionic acid Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC=C2)OC3=C(C=C4C(=C3OC)CCC(O4)CCC(=O)O)OC)N=C1N

Isomeric SMILES

CN1C2=C(C(=CC=C2)OC3=C(C=C4C(=C3OC)CCC(O4)CCC(=O)O)OC)N=C1N

InChI

InChI=1S/C22H25N3O6/c1-25-14-5-4-6-15(19(14)24-22(25)23)31-21-17(28-2)11-16-13(20(21)29-3)9-7-12(30-16)8-10-18(26)27/h4-6,11-12H,7-10H2,1-3H3,(H2,23,24)(H,26,27)