ethyl 5-acetyloxy-6-bromanyl-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methyl-indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[[4-(2-hydroxyethyl)piperazino]methyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H28BrN3O5 MolecularWeight: 482.36812

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)CN3CCN(CC3)CCO

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CN3CCN(CC3)CCO

InChI

InChI=1S/C21H28BrN3O5/c1-4-29-21(28)20-15-11-19(30-14(2)27)16(22)12-17(15)23(3)18(20)13-25-7-5-24(6-8-25)9-10-26/h11-12,26H,4-10,13H2,1-3H3