FEN
Summary
| Name: | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE |
| Formula: | C26 H33 N O2 |
| Formal charge: | 0 |
| Formula weight: | 391.546 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 15-[(4-hydroxyphenyl)amino]retinal |
| OpenEye OEToolkits | 1.5.0 | (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1ccc(O)cc1)\C=C(\C=C\C=C(\C=C\C2=C(CCCC2(C)C)C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1 |
| SMILES | CACTVS | 3.341 | CC1=C(C=CC(C)=CC=CC(C)=CC(=O)Nc2ccc(O)cc2)C(C)(C)CCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C(=O)Nc2ccc(cc2)O)\C)\C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)Nc2ccc(cc2)O)C)C |
| InChI | InChI | 1.03 | InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+ |
| InChIKey | InChI | 1.03 | AKJHMTWEGVYYSE-FXILSDISSA-N |
