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6-Bromo-5-hydroxy-1-phenyl-2-[(4-phenyl-1-piperazinyl)methyl]-3-indolecarboxylic acid ethyl ester
SpectraBase Compound ID JBCpaTCgR9H
InChI InChI=1S/C28H28BrN3O3/c1-2-35-28(34)27-22-17-26(33)23(29)18-24(22)32(21-11-7-4-8-12-21)25(27)19-30-13-15-31(16-14-30)20-9-5-3-6-10-20/h3-12,17-18,33H,2,13-16,19H2,1H3
InChIKey AHEAUICPFBCZIT-UHFFFAOYSA-N
Mol Weight 534.45 g/mol
Molecular Formula C28H28BrN3O3
Exact Mass 533.131405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4Kf797Vxtg
Name 6-Bromo-5-hydroxy-1-phenyl-2-[(4-phenyl-1-piperazinyl)methyl]-3-indolecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28BrN3O3
InChI InChI=1S/C28H28BrN3O3/c1-2-35-28(34)27-22-17-26(33)23(29)18-24(22)32(21-11-7-4-8-12-21)25(27)19-30-13-15-31(16-14-30)20-9-5-3-6-10-20/h3-12,17-18,33H,2,13-16,19H2,1H3
InChIKey AHEAUICPFBCZIT-UHFFFAOYSA-N
Molecular Weight 534.454 g/mol
SMILES Oc1c(Br)cc2c(c(c([n]2-c2ccccc2)CN2CCN(CC2)c2ccccc2)C(=O)OCC)c1
SPLASH splash10-0bt9-4918220000-bddacf352686d968ca60
Synonyms 6-Bromo-5-hydroxy-1-phenyl-2-[(4-phenylpiperazino)methyl]indole-3-carboxylic acid ethyl ester Ethyl 6-bromanyl-5-oxidanyl-1-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate Ethyl 6-bromo-5-hydroxy-1-phenyl-2-[(4-phenyl-1-piperazinyl)methyl]-1H-indole-3-carboxylate Ethyl 6-bromo-5-hydroxy-1-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate
Wiley ID 1436655