6-bromanyl-1-butyl-5-methoxy-2-methyl-indole-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-butyl-5-methoxy-2-methyl-indole-3-carboxylic acid Openeye Name: 6-bromo-1-butyl-5-methoxy-2-methyl-indole-3-carboxylic acid CAS Name: 6-bromo-1-butyl-5-methoxy-2-methyl-3-indolecarboxylic acid IUPAC Name: 6-bromo-1-butyl-5-methoxy-2-methylindole-3-carboxylic acid Traditional Name: 6-bromo-1-butyl-5-methoxy-2-methyl-indole-3-carboxylic acid Formula: C15H18BrNO3 MolecularWeight: 340.21232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC(=C(C=C21)Br)OC)C(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C2=CC(=C(C=C21)Br)OC)C(=O)O)C

InChI

InChI=1S/C15H18BrNO3/c1-4-5-6-17-9(2)14(15(18)19)10-7-13(20-3)11(16)8-12(10)17/h7-8H,4-6H2,1-3H3,(H,18,19)