ETR
Summary
Name: | N-ETHYL RETINAMIDE |
Formula: | C22 H33 N O |
Formal charge: | 0 |
Formula weight: | 327.504 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 15-(ethylamino)retinal |
OpenEye OEToolkits | 1.5.0 | (2E,4E,6E,8E)-N-ethyl-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(NCC)\C=C(\C=C\C=C(\C=C\C1=C(CCCC1(C)C)C)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C |
SMILES | CACTVS | 3.341 | CCNC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCNC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCNC(=O)C=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C |
InChI | InChI | 1.03 | InChI=1S/C22H33NO/c1-7-23-21(24)16-18(3)11-8-10-17(2)13-14-20-19(4)12-9-15-22(20,5)6/h8,10-11,13-14,16H,7,9,12,15H2,1-6H3,(H,23,24)/b11-8+,14-13+,17-10+,18-16+ |
InChIKey | InChI | 1.03 | WKYDOCGICAMTKE-NBIQJRODSA-N |