8-(2-imidazol-1-yl-3-methyl-indol-1-yl)octanoic acid

Systemtic Name: 8-(2-imidazol-1-yl-3-methyl-indol-1-yl)octanoic acid Openeye Name: 8-(2-imidazol-1-yl-3-methyl-indol-1-yl)octanoic acid CAS Name: 8-[2-(1-imidazolyl)-3-methyl-1-indolyl]octanoic acid IUPAC Name: 8-(2-imidazol-1-yl-3-methylindol-1-yl)octanoic acid Traditional Name: 8-(2-imidazol-1-yl-3-methyl-indol-1-yl)caprylic acid Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2/c1-16-17-9-6-7-10-18(17)23(20(16)22-14-12-21-15-22)13-8-4-2-3-5-11-19(24)25/h6-7,9-10,12,14-15H,2-5,8,11,13H2,1H3,(H,24,25)