| SpectraBase Spectrum ID |
1I1Qkw7PBOm |
| Name |
Benzoic acid, 4-[5,6-dihydro-1-[[4-(methoxycarbonyl)phenyl]methyl]py rrolo[2,1-A]isoquinolin-3-yl]-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.178358285 u |
| Formula |
C29H25NO4 |
| InChI |
InChI=1S/C29H25NO4/c1-33-28(31)22-9-7-19(8-10-22)17-24-18-26(21-11-13-23(14-12-21)29(32)34-2)27-25-6-4-3-5-20(25)15-16-30(24)27/h3-14,18H,15-17H2,1-2H3 |
| InChIKey |
DMHAXKHTNHVOAK-UHFFFAOYSA-N |
| Molecular Weight |
451.522 g/mol |
| SMILES |
C12=C(C=C(N2CCC2=C1C=CC=C2)CC=1C=CC(C(=O)OC)=CC1)C=1C=CC(C(=O)OC)=CC1 |
![Benzoic acid, 4-[5,6-dihydro-1-[[4-(methoxycarbonyl)phenyl]methyl]py rrolo[2,1-a]isoquinolin-3-yl]-, methyl ester](/api/spectrum/1I1Qkw7PBOm/structure.png?h=300&w=458 "Benzoic acid, 4-[5,6-dihydro-1-[[4-(methoxycarbonyl)phenyl]methyl]py rrolo[2,1-a]isoquinolin-3-yl]-, methyl ester")
