Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, octahydro-3-(4-methoxyphenyl)-1-methyl-4,6-dioxo-5-phenyl-, methyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.beta.)-

SpectraBase Compound ID	6HGEUIwHhRJ
InChI	InChI=1S/C22H22N2O5/c1-22(21(27)29-3)17-16(18(23-22)13-9-11-15(28-2)12-10-13)19(25)24(20(17)26)14-7-5-4-6-8-14/h4-12,16-18,23H,1-3H3/t16-,17-,18-,22-/m1/s1
InChIKey	OMQWKBLGWQPJBD-OZQHCQBDSA-N Google Search
Mol Weight	394.43 g/mol
Molecular Formula	C22H22N2O5
Exact Mass	394.152872 g/mol

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SpectraBase Spectrum ID	7ODZ27ZaD7f
Name	Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, octahydro-3-(4-methoxyphenyl)-1-methyl-4,6-dioxo-5-phenyl-, methyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.beta.)-
Alternate Name(s)	Methyl (1R,3S,3aR,6aS)-3-(4-methoxyphenyl)-1-methyl-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate Methyl c-4-(4-methoxyphenyl)-2-methyl-7-phenyl-6,8-dioxo-3,7-diazabicyclo[3.3.0]-octane-r-2-carboxylate
CAS Registry Number	89902-58-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H22N2O5
InChI	InChI=1S/C22H22N2O5/c1-22(21(27)29-3)17-16(18(23-22)13-9-11-15(28-2)12-10-13)19(25)24(20(17)26)14-7-5-4-6-8-14/h4-12,16-18,23H,1-3H3/t16-,17-,18-,22-/m1/s1
InChIKey	OMQWKBLGWQPJBD-OZQHCQBDSA-N
Molecular Weight	394.427 g/mol
SMILES	N1[C@@]([C@]2([C@@]([C@@]1(C(=O)OC)C)(C(N(C2=O)c1ccccc1)=O)[H])[H])(c1ccc(cc1)OC)[H]
SPLASH	splash10-0229-0692000000-c7d9370971e2e131173a
Source of Spectrum	KC-1984-45-0
Wiley ID	1366639