3LV
Summary
| Name: | 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(dipropylamino)methyl]benzoic acid |
| Formula: | C20 H30 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 378.463 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-[(dipropylamino)methyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CCCN(CCC)Cc1cc(ccc1N2C(=O)CCC2(CO)CO)C(O)=O |
| SMILES | CACTVS | 3.352 | CCCN(CCC)Cc1cc(ccc1N2C(=O)CCC2(CO)CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCN(CCC)Cc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCN(CCC)Cc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H30N2O5/c1-3-9-21(10-4-2)12-16-11-15(19(26)27)5-6-17(16)22-18(25)7-8-20(22,13-23)14-24/h5-6,11,23-24H,3-4,7-10,12-14H2,1-2H3,(H,26,27) |
| InChIKey | InChI | 1.03 | IYODICUSAICAQL-UHFFFAOYSA-N |
