8-(5-chloranyl-3-methyl-2-pyridin-3-yl-indol-1-yl)octanoic acid

Systemtic Name: 8-(5-chloranyl-3-methyl-2-pyridin-3-yl-indol-1-yl)octanoic acid Openeye Name: 8-[5-chloro-3-methyl-2-(3-pyridyl)indol-1-yl]octanoic acid CAS Name: 8-[5-chloro-3-methyl-2-(3-pyridinyl)-1-indolyl]octanoic acid IUPAC Name: 8-(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)octanoic acid Traditional Name: 8-[5-chloro-3-methyl-2-(3-pyridyl)indol-1-yl]caprylic acid Formula: C22H25ClN2O2 MolecularWeight: 384.8991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)Cl)CCCCCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)Cl)CCCCCCCC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C22H25ClN2O2/c1-16-19-14-18(23)10-11-20(19)25(22(16)17-8-7-12-24-15-17)13-6-4-2-3-5-9-21(26)27/h7-8,10-12,14-15H,2-6,9,13H2,1H3,(H,26,27)