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CHEBI:91506 - 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(2-methoxyethyl) ester O5-(3-phenylprop-2-enyl) ester

ChEBI IDCHEBI:91506
ChEBI Name2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(2-methoxyethyl) ester O5-(3-phenylprop-2-enyl) ester
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Last Modified13 April 2017
DownloadsMolfile
FormulaC27H28N2O7
Net Charge0
Average Mass492.528
Monoisotopic Mass492.18965
SMILESCOCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3
InChIKeyKJEBULYHNRNJTE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(2-methoxyethyl) ester O5-(3-phenylprop-2-enyl) ester (CHEBI:91506) is a 2-methoxyethyl ester (CHEBI:136838)
2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(2-methoxyethyl) ester O5-(3-phenylprop-2-enyl) ester (CHEBI:91506) is a dihydropyridine (CHEBI:50075)
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