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1-Benzyl-6-bromo-5-hydroxy-2-(piperidinomethyl)indole-3-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

1-Benzyl-6-bromo-5-hydroxy-2-(piperidinomethyl)indole-3-carboxylic acid ethyl ester
SpectraBase Compound ID HEgTfqvZF0g
InChI InChI=1S/C24H27BrN2O3/c1-2-30-24(29)23-18-13-22(28)19(25)14-20(18)27(15-17-9-5-3-6-10-17)21(23)16-26-11-7-4-8-12-26/h3,5-6,9-10,13-14,28H,2,4,7-8,11-12,15-16H2,1H3
InChIKey RLGMVLVGRXFWMP-UHFFFAOYSA-N
Mol Weight 471.4 g/mol
Molecular Formula C24H27BrN2O3
Exact Mass 470.120506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jou0uxpEJWK
Name 1-Benzyl-6-bromo-5-hydroxy-2-(piperidinomethyl)indole-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27BrN2O3
InChI InChI=1S/C24H27BrN2O3/c1-2-30-24(29)23-18-13-22(28)19(25)14-20(18)27(15-17-9-5-3-6-10-17)21(23)16-26-11-7-4-8-12-26/h3,5-6,9-10,13-14,28H,2,4,7-8,11-12,15-16H2,1H3
InChIKey RLGMVLVGRXFWMP-UHFFFAOYSA-N
Molecular Weight 471.395 g/mol
SMILES Oc1c(Br)cc2c(c(c([n]2Cc2ccccc2)CN2CCCCC2)C(=O)OCC)c1
SPLASH splash10-05gl-4019400000-e09615349228fb92c70c
Synonyms 6-Bromo-5-hydroxy-1-(phenylmethyl)-2-(1-piperidinylmethyl)-3-indolecarboxylic acid ethyl ester Ethyl 1-benzyl-6-bromo-5-hydroxy-2-(1-piperidylmethyl)indole-3-carboxylate Ethyl 1-benzyl-6-bromo-5-hydroxy-2-(piperidin-1-ylmethyl)indole-3-carboxylate Ethyl 6-bromanyl-5-oxidanyl-1-(phenylmethyl)-2-(piperidin-1-ylmethyl)indole-3-carboxylate
Wiley ID 1436660