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

Systemtic Name: 5-bromanyl-4-chloranyl-3-(1H-indol-2-yl)octanoate Openeye Name: 5-bromo-4-chloro-3-(1H-indol-2-yl)octanoate CAS Name: 5-bromo-4-chloro-3-(1H-indol-2-yl)octanoate IUPAC Name: 5-bromo-4-chloro-3-(1H-indol-2-yl)octanoate Traditional Name: 5-bromo-4-chloro-3-(1H-indol-2-yl)caprylate Formula: C16H18BrClNO2- MolecularWeight: 371.67662

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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)/p-1