3-[3-[(1-cyano-5,7-dimethyl-indolizin-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]hexanoic acid

Systemtic Name: 3-[3-[(1-cyano-5,7-dimethyl-indolizin-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]hexanoic acid Openeye Name: 3-[3-[(1-cyano-5,7-dimethyl-indolizin-3-yl)methyl]-2-oxo-benzimidazol-1-yl]hexanoic acid CAS Name: 3-[3-[(1-cyano-5,7-dimethyl-3-indolizinyl)methyl]-2-oxo-1-benzimidazolyl]hexanoic acid IUPAC Name: 3-[3-[(1-cyano-5,7-dimethylindolizin-3-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid Traditional Name: 3-[3-[(1-cyano-5,7-dimethyl-indolizin-3-yl)methyl]-2-keto-benzimidazol-1-yl]hexanoic acid Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)O)N1C2=CC=CC=C2N(C1=O)CC3=CC(=C4N3C(=CC(=C4)C)C)C#N

Isomeric SMILES

CCCC(CC(=O)O)N1C2=CC=CC=C2N(C1=O)CC3=CC(=C4N3C(=CC(=C4)C)C)C#N

InChI

InChI=1S/C25H26N4O3/c1-4-7-19(13-24(30)31)29-22-9-6-5-8-21(22)27(25(29)32)15-20-12-18(14-26)23-11-16(2)10-17(3)28(20)23/h5-6,8-12,19H,4,7,13,15H2,1-3H3,(H,30,31)