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5-Acetoxy-6-bromo-2-[[4-(o-tolyl)piperazino]methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester
SpectraBase Compound ID 7dy0ejXrAvy
InChI InChI=1S/C31H32BrN3O4/c1-4-38-31(37)30-24-18-29(39-22(3)36)25(32)19-27(24)35(23-11-6-5-7-12-23)28(30)20-33-14-16-34(17-15-33)26-13-9-8-10-21(26)2/h5-13,18-19H,4,14-17,20H2,1-3H3
InChIKey QGZPYOVEQRXBTK-UHFFFAOYSA-N
Mol Weight 590.5 g/mol
Molecular Formula C31H32BrN3O4
Exact Mass 589.15762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jqM1WDjxY3
Name 5-Acetoxy-6-bromo-2-[[4-(o-tolyl)piperazino]methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H32BrN3O4
InChI InChI=1S/C31H32BrN3O4/c1-4-38-31(37)30-24-18-29(39-22(3)36)25(32)19-27(24)35(23-11-6-5-7-12-23)28(30)20-33-14-16-34(17-15-33)26-13-9-8-10-21(26)2/h5-13,18-19H,4,14-17,20H2,1-3H3
InChIKey QGZPYOVEQRXBTK-UHFFFAOYSA-N
Molecular Weight 590.518 g/mol
SMILES c1(c([n](-c2ccccc2)c2c1cc(c(Br)c2)OC(=O)C)CN1CCN(CC1)c1c(C)cccc1)C(=O)OCC
SPLASH splash10-0a6r-2903210000-4bffad6fa6af28ecc37a
Synonyms 5-Acetyloxy-6-bromo-2-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester Ethyl 5-acetoxy-6-bromo-2-[[4-(o-tolyl)piperazin-1-yl]methyl]-1-phenyl-indole-3-carboxylate Ethyl 5-acetyloxy-6-bromanyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1-phenyl-indole-3-carboxylate Ethyl 5-acetyloxy-6-bromo-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1-phenylindole-3-carboxylate
Wiley ID 1436670