5VT
Summary
| Name: | (2~{S})-~{N}2-[2-(4-methoxyphenyl)ethyl]-~{N}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide |
| Formula: | C26 H29 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 431.527 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-~{N}2-[2-(4-methoxyphenyl)ethyl]-~{N}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H29N3O3/c1-32-22-13-11-19(12-14-22)15-16-27-25(30)24-10-5-17-29(24)26(31)28-18-21-8-4-7-20-6-2-3-9-23(20)21/h2-4,6-9,11-14,24H,5,10,15-18H2,1H3,(H,27,30)(H,28,31)/t24-/m0/s1 |
| InChIKey | InChI | 1.03 | HMNBKWNEJGMBRQ-DEOSSOPVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)NCc3cccc4ccccc34)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CCNC(=O)[CH]2CCCN2C(=O)NCc3cccc4ccccc34)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COc1ccc(cc1)CCNC(=O)[C@@H]2CCCN2C(=O)NCc3cccc4c3cccc4 |
| SMILES | OpenEye OEToolkits | 2.0.4 | COc1ccc(cc1)CCNC(=O)C2CCCN2C(=O)NCc3cccc4c3cccc4 |
