[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-bromanyl-1H-indole-2-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-bromanyl-1H-indole-2-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 3-bromo-1H-indole-2-carboxylate CAS Name: 3-bromo-1H-indole-2-carboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-bromo-1H-indole-2-carboxylate Traditional Name: 3-bromo-1H-indole-2-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C16H19BrN2O3 MolecularWeight: 367.23766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=C(C2=CC=CC=C2N1)Br

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=C(C2=CC=CC=C2N1)Br

InChI

InChI=1S/C16H19BrN2O3/c1-10(2)7-8-18-13(20)9-22-16(21)15-14(17)11-5-3-4-6-12(11)19-15/h3-6,10,19H,7-9H2,1-2H3,(H,18,20)