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6-[3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-4-(3-methylanilino)-5-oxo-2H-pyrrol-1-yl]hexanoic acid
SpectraBase Compound ID Ib8cTh5m7QS
InChI InChI=1S/C30H28ClFN2O4/c1-19-6-5-7-24(18-19)33-27-26(29(37)21-9-13-22(31)14-10-21)28(20-11-15-23(32)16-12-20)34(30(27)38)17-4-2-3-8-25(35)36/h5-7,9-16,18,28,33H,2-4,8,17H2,1H3,(H,35,36)
InChIKey XDCFFJPBQMJARW-UHFFFAOYSA-N
Mol Weight 535.02 g/mol
Molecular Formula C30H28ClFN2O4
Exact Mass 534.172163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNq2f03OqbZ
Name 6-[3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-4-(3-methylanilino)-5-oxo-2H-pyrrol-1-yl]hexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28ClFN2O4
InChI InChI=1S/C30H28ClFN2O4/c1-19-6-5-7-24(18-19)33-27-26(29(37)21-9-13-22(31)14-10-21)28(20-11-15-23(32)16-12-20)34(30(27)38)17-4-2-3-8-25(35)36/h5-7,9-16,18,28,33H,2-4,8,17H2,1H3,(H,35,36)
InChIKey XDCFFJPBQMJARW-UHFFFAOYSA-N
Molecular Weight 535.015 g/mol
SMILES OC(CCCCCN1C(C(=C(C1=O)Nc1cc(C)ccc1)C(c1ccc(cc1)Cl)=O)c1ccc(cc1)F)=O
SPLASH splash10-000l-9500000000-1815407ada096b1d2315
Synonyms 6-[3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-5-keto-4-(m-toluidino)-3-pyrrolin-1-yl]hexanoic acid 6-[3-(4-chlorophenyl)carbonyl-2-(4-fluorophenyl)-4-[(3-methylphenyl)amino]-5-oxidanylidene-2H-pyrrol-1-yl]hexanoic acid 6-[3-[(4-chlorophenyl)-oxomethyl]-2-(4-fluorophenyl)-4-(3-methylanilino)-5-oxo-2H-pyrrol-1-yl]hexanoic acid
Wiley ID 1457857