[1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-bromanyl-1H-indole-2-carboxylate

Systemtic Name: [1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-bromanyl-1H-indole-2-carboxylate Openeye Name: [1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 3-bromo-1H-indole-2-carboxylate CAS Name: 3-bromo-1H-indole-2-carboxylic acid [1-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate Traditional Name: 3-bromo-1H-indole-2-carboxylic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3N2)Br

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3N2)Br

InChI

InChI=1S/C22H21BrN2O4/c1-12(2)21(27)24-15-10-8-14(9-11-15)20(26)13(3)29-22(28)19-18(23)16-6-4-5-7-17(16)25-19/h4-13,25H,1-3H3,(H,24,27)