ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-(phenylazanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-(phenylazanylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-(anilinomethyl)-6-bromo-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-2-(anilinomethyl)-6-bromo-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-(anilinomethyl)-6-bromo-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-2-(anilinomethyl)-6-bromo-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CNC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CNC3=CC=CC=C3

InChI

InChI=1S/C21H21BrN2O4/c1-4-27-21(26)20-15-10-19(28-13(2)25)16(22)11-17(15)24(3)18(20)12-23-14-8-6-5-7-9-14/h5-11,23H,4,12H2,1-3H3