For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Pyrimidinecarboxylic acid, 4-[[(1,3-benzodioxol-5-ylmethyl)(3-pyridinylcarbonyl)amino]methyl]-1,2,3,6-tetrahydro-6-(4-methoxyphenyl)-2-oxo-, ethyl ester
SpectraBase Compound ID DxKAZvo7yhR
InChI InChI=1S/C29H28N4O7/c1-3-38-28(35)25-22(31-29(36)32-26(25)19-7-9-21(37-2)10-8-19)16-33(27(34)20-5-4-12-30-14-20)15-18-6-11-23-24(13-18)40-17-39-23/h4-14,26H,3,15-17H2,1-2H3,(H2,31,32,36)
InChIKey LPOPDQMNJZBVDP-UHFFFAOYSA-N
Mol Weight 544.56 g/mol
Molecular Formula C29H28N4O7
Exact Mass 544.195799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IEe3CKLQTnh
Name 5-Pyrimidinecarboxylic acid, 4-[[(1,3-benzodioxol-5-ylmethyl)(3-pyridinylcarbonyl)amino]methyl]-1,2,3,6-tetrahydro-6-(4-methoxyphenyl)-2-oxo-, ethyl ester
Alternate Name(s) Ethyl 6-{[N-(2H-1,3-benzodioxol-5-ylmethyl)-1-pyridin-3-ylformamido]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate 6-[[1,3-benzodioxol-5-ylmethyl-[oxo(3-pyridinyl)methyl]amino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 6-[[1,3-benzodioxol-5-ylmethyl(pyridine-3-carbonyl)amino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Ethyl 6-[[1,3-benzodioxol-5-ylmethyl(pyridin-3-ylcarbonyl)amino]methyl]-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28N4O7
InChI InChI=1S/C29H28N4O7/c1-3-38-28(35)25-22(31-29(36)32-26(25)19-7-9-21(37-2)10-8-19)16-33(27(34)20-5-4-12-30-14-20)15-18-6-11-23-24(13-18)40-17-39-23/h4-14,26H,3,15-17H2,1-2H3,(H2,31,32,36)
InChIKey LPOPDQMNJZBVDP-UHFFFAOYSA-N
Molecular Weight 544.564 g/mol
SMILES N1C(C(=C(NC1=O)CN(Cc1cc2c(cc1)OCO2)C(=O)c1cccnc1)C(OCC)=O)c1ccc(cc1)OC
SPLASH splash10-052u-8930000000-ef188fca5854525fd13c
Source of Spectrum IY-2-5040-1
Wiley ID 1658384