UQW
Summary
| Name: | [(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate |
| Synonyms: | [(2~{R})-1-[2-(1~{H}-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate |
| Formula: | C17 H20 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 300.352 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-1-[2-(1~{H}-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H20N2O3/c1-3-15(22-16(20)4-2)17(21)18-10-9-12-11-19-14-8-6-5-7-13(12)14/h4-8,11,15,19H,2-3,9-10H2,1H3,(H,18,21)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | UWYXREXKBLOKIU-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](OC(=O)C=C)C(=O)NCCc1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | CC[CH](OC(=O)C=C)C(=O)NCCc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](C(=O)NCCc1c[nH]c2c1cccc2)OC(=O)C=C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C(=O)NCCc1c[nH]c2c1cccc2)OC(=O)C=C |
