3-[3-[(5-chloranyl-1,2,3-trimethyl-indol-7-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-[3-[(5-chloranyl-1,2,3-trimethyl-indol-7-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]propanoic acid Openeye Name: 3-[3-[(5-chloro-1,2,3-trimethyl-indol-7-yl)methyl]-2-oxo-benzimidazol-1-yl]propanoic acid CAS Name: 3-[3-[(5-chloro-1,2,3-trimethyl-7-indolyl)methyl]-2-oxo-1-benzimidazolyl]propanoic acid IUPAC Name: 3-[3-[(5-chloro-1,2,3-trimethylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid Traditional Name: 3-[3-[(5-chloro-1,2,3-trimethyl-indol-7-yl)methyl]-2-keto-benzimidazol-1-yl]propionic acid Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C(C=C(C=C12)Cl)CN3C4=CC=CC=C4N(C3=O)CCC(=O)O)C)C

Isomeric SMILES

CC1=C(N(C2=C(C=C(C=C12)Cl)CN3C4=CC=CC=C4N(C3=O)CCC(=O)O)C)C

InChI

InChI=1S/C22H22ClN3O3/c1-13-14(2)24(3)21-15(10-16(23)11-17(13)21)12-26-19-7-5-4-6-18(19)25(22(26)29)9-8-20(27)28/h4-7,10-11H,8-9,12H2,1-3H3,(H,27,28)