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4-[(N-(2-chlorobenzoyl)-4-fluoro-anilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
SpectraBase Compound ID CePTN7sfwFX
InChI InChI=1S/C23H22ClFN2O3/c1-4-30-23(29)21-14(2)19(15(3)26-21)13-27(17-11-9-16(25)10-12-17)22(28)18-7-5-6-8-20(18)24/h5-12,26H,4,13H2,1-3H3
InChIKey LEJQLKLPWGAHCB-UHFFFAOYSA-N
Mol Weight 428.89 g/mol
Molecular Formula C23H22ClFN2O3
Exact Mass 428.130298 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWB375i8fSI
Name 4-[(N-(2-chlorobenzoyl)-4-fluoro-anilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22ClFN2O3
InChI InChI=1S/C23H22ClFN2O3/c1-4-30-23(29)21-14(2)19(15(3)26-21)13-27(17-11-9-16(25)10-12-17)22(28)18-7-5-6-8-20(18)24/h5-12,26H,4,13H2,1-3H3
InChIKey LEJQLKLPWGAHCB-UHFFFAOYSA-N
Molecular Weight 428.891 g/mol
SMILES [nH]1c(c(c(c1C)CN(C(c1c(Cl)cccc1)=O)c1ccc(cc1)F)C)C(=O)OCC
SPLASH splash10-001i-2900000000-e29ddf6e1fe6a9df116e
Synonyms 4-[(N-[(2-chlorophenyl)-oxomethyl]-4-fluoroanilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Ethyl 4-[(N-(2-chlorobenzoyl)-4-fluoro-anilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Ethyl 4-[[(2-chlorophenyl)carbonyl-(4-fluorophenyl)amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1464843