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1H-Pyrrole-2-carboxylic acid, 1-ethyl-3,5-dimethyl-4-[[4-(phenylmethyl)-1-piperazinyl]carbonyl]-, ethyl ester
SpectraBase Compound ID LHSU9Z5bvVg
InChI InChI=1S/C23H31N3O3/c1-5-26-18(4)20(17(3)21(26)23(28)29-6-2)22(27)25-14-12-24(13-15-25)16-19-10-8-7-9-11-19/h7-11H,5-6,12-16H2,1-4H3
InChIKey BEPDKTMMVYTHND-UHFFFAOYSA-N
Mol Weight 397.52 g/mol
Molecular Formula C23H31N3O3
Exact Mass 397.236542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZsMogUvvTY
Name 1H-Pyrrole-2-carboxylic acid, 1-ethyl-3,5-dimethyl-4-[[4-(phenylmethyl)-1-piperazinyl]carbonyl]-, ethyl ester
Alternate Name(s) 1-Ethyl-3,5-dimethyl-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-pyrrolecarboxylic acid ethyl ester 4-(4-benzylpiperazine-1-carbonyl)-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester Ethyl 1-ethyl-3,5-dimethyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrrole-2-carboxylate Ethyl 4-(4-benzylpiperazine-1-carbonyl)-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylate
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Formula C23H31N3O3
InChI InChI=1S/C23H31N3O3/c1-5-26-18(4)20(17(3)21(26)23(28)29-6-2)22(27)25-14-12-24(13-15-25)16-19-10-8-7-9-11-19/h7-11H,5-6,12-16H2,1-4H3
InChIKey BEPDKTMMVYTHND-UHFFFAOYSA-N
Molecular Weight 397.519 g/mol
SMILES c1(c([n](CC)c(c1C)C(=O)OCC)C)C(N1CCN(CC1)Cc1ccccc1)=O
SPLASH splash10-00dl-9661000000-1bd4923fa6b2558c00c1
Wiley ID 1449815