6-(2-imidazol-1-yl-3-methyl-indol-1-yl)hexanoic acid

Systemtic Name: 6-(2-imidazol-1-yl-3-methyl-indol-1-yl)hexanoic acid Openeye Name: 6-(2-imidazol-1-yl-3-methyl-indol-1-yl)hexanoic acid CAS Name: 6-[2-(1-imidazolyl)-3-methyl-1-indolyl]hexanoic acid IUPAC Name: 6-(2-imidazol-1-yl-3-methylindol-1-yl)hexanoic acid Traditional Name: 6-(2-imidazol-1-yl-3-methyl-indol-1-yl)hexanoic acid Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CCCCCC(=O)O)N3C=CN=C3

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CCCCCC(=O)O)N3C=CN=C3

InChI

InChI=1S/C18H21N3O2/c1-14-15-7-4-5-8-16(15)21(11-6-2-3-9-17(22)23)18(14)20-12-10-19-13-20/h4-5,7-8,10,12-13H,2-3,6,9,11H2,1H3,(H,22,23)