5-bromanyl-4-chloranyl-3-(1H-indol-2-yl)octanoic acid

Systemtic Name: 5-bromanyl-4-chloranyl-3-(1H-indol-2-yl)octanoic acid Openeye Name: 5-bromo-4-chloro-3-(1H-indol-2-yl)octanoic acid CAS Name: 5-bromo-4-chloro-3-(1H-indol-2-yl)octanoic acid IUPAC Name: 5-bromo-4-chloro-3-(1H-indol-2-yl)octanoic acid Traditional Name: 5-bromo-4-chloro-3-(1H-indol-2-yl)caprylic acid Formula: C16H19BrClNO2 MolecularWeight: 372.68456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(CC(=O)O)C1=CC2=CC=CC=C2N1)Cl)Br

Isomeric SMILES

CCCC(C(C(CC(=O)O)C1=CC2=CC=CC=C2N1)Cl)Br

InChI

InChI=1S/C16H19BrClNO2/c1-2-5-12(17)16(18)11(9-15(20)21)14-8-10-6-3-4-7-13(10)19-14/h3-4,6-8,11-12,16,19H,2,5,9H2,1H3,(H,20,21)