3-[3-[(1,4-dimethylindol-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]-2,2-dimethyl-hexanoic acid

Systemtic Name: 3-[3-[(1,4-dimethylindol-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]-2,2-dimethyl-hexanoic acid Openeye Name: 3-[3-[(1,4-dimethylindol-3-yl)methyl]-2-oxo-benzimidazol-1-yl]-2,2-dimethyl-hexanoic acid CAS Name: 3-[3-[(1,4-dimethyl-3-indolyl)methyl]-2-oxo-1-benzimidazolyl]-2,2-dimethylhexanoic acid IUPAC Name: 3-[3-[(1,4-dimethylindol-3-yl)methyl]-2-oxobenzimidazol-1-yl]-2,2-dimethylhexanoic acid Traditional Name: 3-[3-[(1,4-dimethylindol-3-yl)methyl]-2-keto-benzimidazol-1-yl]-2,2-dimethyl-hexanoic acid Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)(C)C(=O)O)N1C2=CC=CC=C2N(C1=O)CC3=CN(C4=CC=CC(=C43)C)C

Isomeric SMILES

CCCC(C(C)(C)C(=O)O)N1C2=CC=CC=C2N(C1=O)CC3=CN(C4=CC=CC(=C43)C)C

InChI

InChI=1S/C26H31N3O3/c1-6-10-22(26(3,4)24(30)31)29-20-13-8-7-12-19(20)28(25(29)32)16-18-15-27(5)21-14-9-11-17(2)23(18)21/h7-9,11-15,22H,6,10,16H2,1-5H3,(H,30,31)