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1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-keto-ethyl]-2-keto-4-phenyl-quinoline-3-carboxylic acid ethyl ester
SpectraBase Compound ID EgyAl1gNQDE
InChI InChI=1S/C32H31ClN2O4/c1-2-39-32(38)28-27(21-11-5-3-6-12-21)25-15-9-10-16-26(25)35(31(28)37)29(22-17-19-23(33)20-18-22)30(36)34-24-13-7-4-8-14-24/h3,5-6,9-12,15-20,24,29H,2,4,7-8,13-14H2,1H3,(H,34,36)
InChIKey NFYSUYUEFUALTJ-UHFFFAOYSA-N
Mol Weight 543.1 g/mol
Molecular Formula C32H31ClN2O4
Exact Mass 542.197235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xmnihxROgH
Name 1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-keto-ethyl]-2-keto-4-phenyl-quinoline-3-carboxylic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C32H31ClN2O4
InChI InChI=1S/C32H31ClN2O4/c1-2-39-32(38)28-27(21-11-5-3-6-12-21)25-15-9-10-16-26(25)35(31(28)37)29(22-17-19-23(33)20-18-22)30(36)34-24-13-7-4-8-14-24/h3,5-6,9-12,15-20,24,29H,2,4,7-8,13-14H2,1H3,(H,34,36)
InChIKey NFYSUYUEFUALTJ-UHFFFAOYSA-N
Molecular Weight 543.063 g/mol
SMILES N(C(C(N1C(C(=C(c2c1cccc2)c1ccccc1)C(=O)OCC)=O)c1ccc(cc1)Cl)=O)C1CCCCC1
SPLASH splash10-0006-0000920000-35c32f6d6f6c600fd1f6
Source of Spectrum Y1-45-4001-6
Synonyms 1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-oxo-4-phenyl-3-quinolinecarboxylic acid ethyl ester ethyl 1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-4-phenyl-quinoline-3-carboxylate ethyl 1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxo-ethyl]-2-oxo-4-phenyl-quinoline-3-carboxylate
Wiley ID 1621998