3-[3-[(1,4-dimethylindol-3-yl)methyl]-6-methyl-2-oxidanylidene-benzimidazol-1-yl]hexanoic acid

Systemtic Name: 3-[3-[(1,4-dimethylindol-3-yl)methyl]-6-methyl-2-oxidanylidene-benzimidazol-1-yl]hexanoic acid Openeye Name: 3-[3-[(1,4-dimethylindol-3-yl)methyl]-6-methyl-2-oxo-benzimidazol-1-yl]hexanoic acid CAS Name: 3-[3-[(1,4-dimethyl-3-indolyl)methyl]-6-methyl-2-oxo-1-benzimidazolyl]hexanoic acid IUPAC Name: 3-[3-[(1,4-dimethylindol-3-yl)methyl]-6-methyl-2-oxobenzimidazol-1-yl]hexanoic acid Traditional Name: 3-[3-[(1,4-dimethylindol-3-yl)methyl]-2-keto-6-methyl-benzimidazol-1-yl]hexanoic acid Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)O)N1C2=C(C=CC(=C2)C)N(C1=O)CC3=CN(C4=CC=CC(=C43)C)C

Isomeric SMILES

CCCC(CC(=O)O)N1C2=C(C=CC(=C2)C)N(C1=O)CC3=CN(C4=CC=CC(=C43)C)C

InChI

InChI=1S/C25H29N3O3/c1-5-7-19(13-23(29)30)28-22-12-16(2)10-11-20(22)27(25(28)31)15-18-14-26(4)21-9-6-8-17(3)24(18)21/h6,8-12,14,19H,5,7,13,15H2,1-4H3,(H,29,30)