JRQ
Summary
| Name: | ethyl 2-[(2~{R})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate |
| Formula: | C16 H22 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 290.357 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl 2-[(2~{R})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H22N2O3/c1-3-21-15(19)10-14-16(20)17-8-9-18(14)11-13-6-4-12(2)5-7-13/h4-7,14H,3,8-11H2,1-2H3,(H,17,20)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | DPGLMZMGVNDMDP-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)C[C@H]1N(CCNC1=O)Cc2ccc(C)cc2 |
| SMILES | CACTVS | 3.385 | CCOC(=O)C[CH]1N(CCNC1=O)Cc2ccc(C)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C[C@@H]1C(=O)NCCN1Cc2ccc(cc2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)CC1C(=O)NCCN1Cc2ccc(cc2)C |
