methyl 4-bromanyl-3-(3-methylbut-3-enyl)-1-oxidanyl-indole-2-carboxylate

Systemtic Name: methyl 4-bromanyl-3-(3-methylbut-3-enyl)-1-oxidanyl-indole-2-carboxylate Openeye Name: methyl 4-bromo-1-hydroxy-3-(3-methylbut-3-enyl)indole-2-carboxylate CAS Name: 4-bromo-1-hydroxy-3-(3-methylbut-3-enyl)-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-1-hydroxy-3-(3-methylbut-3-enyl)indole-2-carboxylate Traditional Name: 4-bromo-1-hydroxy-3-(3-methylbut-3-enyl)indole-2-carboxylic acid methyl ester Formula: C15H16BrNO3 MolecularWeight: 338.19644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CCC1=C(N(C2=C1C(=CC=C2)Br)O)C(=O)OC

Isomeric SMILES

CC(=C)CCC1=C(N(C2=C1C(=CC=C2)Br)O)C(=O)OC

InChI

InChI=1S/C15H16BrNO3/c1-9(2)7-8-10-13-11(16)5-4-6-12(13)17(19)14(10)15(18)20-3/h4-6,19H,1,7-8H2,2-3H3