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3-Methoxycarbonyl-2-methyl-5-phenyl-4-phenylcarbamoyl-1-ureido-pyrrole
SpectraBase Compound ID KQzc3eD2fgB
InChI InChI=1S/C21H20N4O4/c1-13-16(20(27)29-2)17(19(26)23-15-11-7-4-8-12-15)18(25(13)24-21(22)28)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,23,26)(H3,22,24,28)
InChIKey SEMKDJVHLOWWQV-UHFFFAOYSA-N
Mol Weight 392.42 g/mol
Molecular Formula C21H20N4O4
Exact Mass 392.148455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EM2c62lGx8a
Name 2-methyl-5-phenyl-4-(phenylcarbamoyl)-1-ureido-pyrrole-3-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C21H20N4O4
InChI InChI=1S/C21H20N4O4/c1-13-16(20(27)29-2)17(19(26)23-15-11-7-4-8-12-15)18(25(13)24-21(22)28)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,23,26)(H3,22,24,28)
InChIKey SEMKDJVHLOWWQV-UHFFFAOYSA-N
Molecular Weight 392.415 g/mol
SMILES N(C(c1c(c([n](c1-c1ccccc1)NC(=O)N)C)C(=O)OC)=O)c1ccccc1
SPLASH splash10-0udi-0009000000-76049c4eaf2b297a6dc2
Source of Spectrum KC-57-5861-14
Synonyms 4-[anilino(oxo)methyl]-1-(carbamoylamino)-2-methyl-5-phenyl-3-pyrrolecarboxylic acid methyl ester methyl 1-(aminocarbonylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate methyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate methyl 2-methyl-5-phenyl-4-(phenylcarbamoyl)-1-ureido-pyrrole-3-carboxylate
Wiley ID 1624970