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3-(1-Benzyl-3-ethylureidomethyl)-3-((E)-4-cyclohexylbut-2-enyl)-2,3-dihydroindole-1,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID Av2zIWzfipA
InChI InChI=1S/C33H43N3O5/c1-4-34-31(38)35(22-26-16-9-6-10-17-26)23-33(20-12-11-15-25-13-7-5-8-14-25)24-36(32(39)41-3)29-19-18-27(21-28(29)33)30(37)40-2/h6,9-12,16-19,21,25H,4-5,7-8,13-15,20,22-24H2,1-3H3,(H,34,38)/b12-11+
InChIKey JUAJUWUCTDJDHT-VAWYXSNFSA-N
Mol Weight 561.7 g/mol
Molecular Formula C33H43N3O5
Exact Mass 561.320271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUFzJMAyKOR
Name 3-(1-Benzyl-3-ethylureidomethyl)-3-((E)-4-cyclohexylbut-2-enyl)-2,3-dihydroindole-1,5-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 3-({benzyl[(ethylamino)carbonyl]amino}methyl)-3-[(2E)-4-cyclohexyl-2-butenyl]-1,5-indolinedicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H43N3O5
InChI InChI=1S/C33H43N3O5/c1-4-34-31(38)35(22-26-16-9-6-10-17-26)23-33(20-12-11-15-25-13-7-5-8-14-25)24-36(32(39)41-3)29-19-18-27(21-28(29)33)30(37)40-2/h6,9-12,16-19,21,25H,4-5,7-8,13-15,20,22-24H2,1-3H3,(H,34,38)/b12-11+
InChIKey JUAJUWUCTDJDHT-VAWYXSNFSA-N
Molecular Weight 561.723 g/mol
SMILES N(C(N(CC1(CN(c2c1cc(cc2)C(=O)OC)C(=O)OC)C\C=C\CC1CCCCC1)Cc1ccccc1)=O)CC
SPLASH splash10-00dl-7910110000-6e23003455f06ef3a060
Source of Spectrum F-57-10344-20
Wiley ID 1626826