5-bromanyl-2-(2,2-dimethylpropoxycarbonyl)indole-1-carboxylic acid

Systemtic Name: 5-bromanyl-2-(2,2-dimethylpropoxycarbonyl)indole-1-carboxylic acid Openeye Name: 5-bromo-2-(2,2-dimethylpropoxycarbonyl)indole-1-carboxylic acid CAS Name: 5-bromo-2-[2,2-dimethylpropoxy(oxo)methyl]-1-indolecarboxylic acid IUPAC Name: 5-bromo-2-(2,2-dimethylpropoxycarbonyl)indole-1-carboxylic acid Traditional Name: 5-bromo-2-neopentyloxycarbonyl-indole-1-carboxylic acid Formula: C15H16BrNO4 MolecularWeight: 354.19584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)C1=CC2=C(N1C(=O)O)C=CC(=C2)Br

Isomeric SMILES

CC(C)(C)COC(=O)C1=CC2=C(N1C(=O)O)C=CC(=C2)Br

InChI

InChI=1S/C15H16BrNO4/c1-15(2,3)8-21-13(18)12-7-9-6-10(16)4-5-11(9)17(12)14(19)20/h4-7H,8H2,1-3H3,(H,19,20)