2-chloranyl-1-hexyl-indole-3-carboxylic acid

Systemtic Name: 2-chloranyl-1-hexyl-indole-3-carboxylic acid Openeye Name: 2-chloro-1-hexyl-indole-3-carboxylic acid CAS Name: 2-chloro-1-hexyl-3-indolecarboxylic acid IUPAC Name: 2-chloro-1-hexylindole-3-carboxylic acid Traditional Name: 2-chloro-1-hexyl-indole-3-carboxylic acid Formula: C15H18ClNO2 MolecularWeight: 279.76192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2C(=C1Cl)C(=O)O

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2C(=C1Cl)C(=O)O

InChI

InChI=1S/C15H18ClNO2/c1-2-3-4-7-10-17-12-9-6-5-8-11(12)13(14(17)16)15(18)19/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,19)