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6-Bromo-1-cyclohexyl-5-hydroxy-2-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-3-indolecarboxylic acid ethyl ester
SpectraBase Compound ID J7fqa7g4oSK
InChI InChI=1S/C29H36BrN3O3/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/h7-9,12,17-18,21,34H,3-6,10-11,13-16,19H2,1-2H3
InChIKey IQZYXXFIRGIQBJ-UHFFFAOYSA-N
Mol Weight 554.5 g/mol
Molecular Formula C29H36BrN3O3
Exact Mass 553.194005 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNyjEkG0tmo
Name 6-Bromo-1-cyclohexyl-5-hydroxy-2-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-3-indolecarboxylic acid ethyl ester
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Formula C29H36BrN3O3
InChI InChI=1S/C29H36BrN3O3/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/h7-9,12,17-18,21,34H,3-6,10-11,13-16,19H2,1-2H3
InChIKey IQZYXXFIRGIQBJ-UHFFFAOYSA-N
Molecular Weight 554.529 g/mol
SMILES Oc1c(Br)cc2c(c(c([n]2C2CCCCC2)CN2CCN(CC2)c2c(C)cccc2)C(=O)OCC)c1
SPLASH splash10-004i-3925110000-bd4e4b47d44f5a6e52e8
Synonyms 6-Bromo-1-cyclohexyl-5-hydroxy-2-[[4-(o-tolyl)piperazino]methyl]indole-3-carboxylic acid ethyl ester Ethyl 6-bromanyl-1-cyclohexyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-5-oxidanyl-indole-3-carboxylate Ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]indole-3-carboxylate Ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-[[4-(o-tolyl)piperazin-1-yl]methyl]indole-3-carboxylate
Wiley ID 1436656