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5H-Pyrido[4,3-b]indole-3-carboxylic acid, 1-[(4-chlorophenyl)amino]-5-methyl-, ethyl ester
SpectraBase Compound ID BL06Vobvjdh
InChI InChI=1S/C21H18ClN3O2/c1-3-27-21(26)17-12-16-15-6-4-5-7-18(15)25(2)19(16)20(24-17)23-14-10-8-13(22)9-11-14/h4-12H,3H2,1-2H3,(H,23,24)
InChIKey BDTQHVSDTMQFFR-UHFFFAOYSA-N
Mol Weight 379.85 g/mol
Molecular Formula C21H18ClN3O2
Exact Mass 379.108755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fz59On6SBMi
Name 5H-Pyrido[4,3-b]indole-3-carboxylic acid, 1-[(4-chlorophenyl)amino]-5-methyl-, ethyl ester
CAS Registry Number 116885-02-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18ClN3O2
InChI InChI=1S/C21H18ClN3O2/c1-3-27-21(26)17-12-16-15-6-4-5-7-18(15)25(2)19(16)20(24-17)23-14-10-8-13(22)9-11-14/h4-12H,3H2,1-2H3,(H,23,24)
InChIKey BDTQHVSDTMQFFR-UHFFFAOYSA-N
Molecular Weight 379.847 g/mol
SMILES N(c1c2[n](c3c(cccc3)c2cc(C(=O)OCC)n1)C)c1ccc(cc1)Cl
SPLASH splash10-0a6r-0109000000-39e3da92f7151a928a9b
Source of Spectrum KC-1988-1821-14
Synonyms 1-(p-chlorophenylamino)-3-ethoxycarbonyl-9-methylpyrido[3,4-b]indole 1-(p-chlorophenylamino-3-ethoxycarbonyl-5-methylpyrido[4,3-b]indole Ethyl 1-(4-chloroanilino)-9-methyl-9H-.beta.-carboline-3-carboxylate
Wiley ID 1359276