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

Systemtic Name: ethyl 6-bromanyl-1-cyclohexyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-[[4-(p-tolyl)piperazin-1-yl]methyl]indole-3-carboxylate CAS Name: 6-bromo-1-cyclohexyl-5-hydroxy-2-[[4-(4-methylphenyl)-1-piperazinyl]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]indole-3-carboxylate Traditional Name: 6-bromo-1-cyclohexyl-5-hydroxy-2-[[4-(p-tolyl)piperazino]methyl]indole-3-carboxylic acid ethyl ester Formula: C29H36BrN3O3 MolecularWeight: 554.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3CCCCC3)CN4CCN(CC4)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3CCCCC3)CN4CCN(CC4)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H36BrN3O3/c1-3-36-29(35)28-23-17-27(34)24(30)18-25(23)33(22-7-5-4-6-8-22)26(28)19-31-13-15-32(16-14-31)21-11-9-20(2)10-12-21/h9-12,17-18,22,34H,3-8,13-16,19H2,1-2H3