ethyl 6-bromanyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-2-[[4-(o-tolyl)piperazin-1-yl]methyl]-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-[[4-(o-tolyl)piperazino]methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C29H30BrN3O3 MolecularWeight: 548.4708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5C

InChI

InChI=1S/C29H30BrN3O3/c1-3-36-29(35)28-22-17-27(34)23(30)18-25(22)33(21-10-5-4-6-11-21)26(28)19-31-13-15-32(16-14-31)24-12-8-7-9-20(24)2/h4-12,17-18,34H,3,13-16,19H2,1-2H3