ethyl 6-bromanyl-1,2-dimethyl-5-(phenylcarbonyloxy)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1,2-dimethyl-5-(phenylcarbonyloxy)indole-3-carboxylate Openeye Name: ethyl 5-benzoyloxy-6-bromo-1,2-dimethyl-indole-3-carboxylate CAS Name: 5-benzoyloxy-6-bromo-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzoyloxy-6-bromo-1,2-dimethylindole-3-carboxylate Traditional Name: 5-benzoyloxy-6-bromo-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C3=CC=CC=C3)Br)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C3=CC=CC=C3)Br)C)C

InChI

InChI=1S/C20H18BrNO4/c1-4-25-20(24)18-12(2)22(3)16-11-15(21)17(10-14(16)18)26-19(23)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3