Methyl 4-{5-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-furyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
5655
Reference
Methyl 4-{5-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-furyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate Structure
Systematic / IUPAC Name: Methyl 4-{5-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-furyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
ID: Reference5655
Other Names: 3-Quinolinecarboxylic acid, 4-{5-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-2-furanyl}-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, methyl ester
Formula: C25H22N2O6
Spectral Data
Methyl 4-{5-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-furyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 103 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 9/20/2016 11:42:44 AM |
Identificators
| InChI | InChI=1S/C25H22N2O6/c1-13-20(25(31)32-2)22(21-17(26-13)8-5-9-18(21)28)19-11-10-14(33-19)12-27-23(29)15-6-3-4-7-16(15)24(27)30/h3-4,6-7,10-11,22,26H,5,8-9,12H2,1-2H3 |
| InChI Key | OJTFHUFNAFJJTC-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(O3)CN4C(=O)C5=CC=CC=C5C4=O)C(=O)OC |
| CAS | |
| Splash | |
| Other Names | 3-Quinolinecarboxylic acid, 4-{5-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-2-furanyl}-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, methyl ester |