3-bromanyl-2-ethoxycarbonyl-1-(2-methylpropyl)indole-5-carboxylic acid

Systemtic Name: 3-bromanyl-2-ethoxycarbonyl-1-(2-methylpropyl)indole-5-carboxylic acid Openeye Name: 3-bromo-2-ethoxycarbonyl-1-isobutyl-indole-5-carboxylic acid CAS Name: 3-bromo-2-ethoxycarbonyl-1-(2-methylpropyl)-5-indolecarboxylic acid IUPAC Name: 3-bromo-2-ethoxycarbonyl-1-(2-methylpropyl)indole-5-carboxylic acid Traditional Name: 3-bromo-2-carbethoxy-1-isobutyl-indole-5-carboxylic acid Formula: C16H18BrNO4 MolecularWeight: 368.22242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1CC(C)C)C=CC(=C2)C(=O)O)Br

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1CC(C)C)C=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C16H18BrNO4/c1-4-22-16(21)14-13(17)11-7-10(15(19)20)5-6-12(11)18(14)8-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,19,20)