NLD
Summary
| Name: | NICOTINE-11-YL-METHYL-(4-ETHYLAMINO-4-OXO)-BUTANOATE |
| Formula: | C17 H25 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 319.399 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2R,3R)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate |
| OpenEye OEToolkits | 1.7.2 | [(2R,3R)-1-methyl-2-pyridin-3-yl-pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxidanylidene-butanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC)CCC(=O)OCC2C(c1cccnc1)N(C)CC2 |
| SMILES_CANONICAL | CACTVS | 3.370 | CCNC(=O)CCC(=O)OC[C@@H]1CCN(C)[C@H]1c2cccnc2 |
| SMILES | CACTVS | 3.370 | CCNC(=O)CCC(=O)OC[CH]1CCN(C)[CH]1c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCNC(=O)CCC(=O)OC[C@@H]1CCN([C@H]1c2cccnc2)C |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCNC(=O)CCC(=O)OCC1CCN(C1c2cccnc2)C |
| InChI | InChI | 1.03 | InChI=1S/C17H25N3O3/c1-3-19-15(21)6-7-16(22)23-12-14-8-10-20(2)17(14)13-5-4-9-18-11-13/h4-5,9,11,14,17H,3,6-8,10,12H2,1-2H3,(H,19,21)/t14-,17-/m0/s1 |
| InChIKey | InChI | 1.03 | WOXOYXFKTXCZIL-YOEHRIQHSA-N |
