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

Systemtic Name: methyl 4-bromanyl-3-(2,2-dimethylbut-3-enyl)-1-oxidanyl-indole-2-carboxylate Openeye Name: methyl 4-bromo-3-(2,2-dimethylbut-3-enyl)-1-hydroxy-indole-2-carboxylate CAS Name: 4-bromo-3-(2,2-dimethylbut-3-enyl)-1-hydroxy-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-3-(2,2-dimethylbut-3-enyl)-1-hydroxyindole-2-carboxylate Traditional Name: 4-bromo-3-(2,2-dimethylbut-3-enyl)-1-hydroxy-indole-2-carboxylic acid methyl ester Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=C(N(C2=C1C(=CC=C2)Br)O)C(=O)OC)C=C

Isomeric SMILES

CC(C)(CC1=C(N(C2=C1C(=CC=C2)Br)O)C(=O)OC)C=C

InChI

InChI=1S/C16H18BrNO3/c1-5-16(2,3)9-10-13-11(17)7-6-8-12(13)18(20)14(10)15(19)21-4/h5-8,20H,1,9H2,2-4H3