A1CK1
Summary
| Name: | (2E)-3-[4'-(dimethylamino)[1,1'-biphenyl]-4-yl]but-2-enal |
| Formula: | C18 H19 N O |
| Formal charge: | 0 |
| Formula weight: | 265.35 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2E)-3-[4'-(dimethylamino)[1,1'-biphenyl]-4-yl]but-2-enal |
| OpenEye OEToolkits | 3.1.0.0 | (~{E})-3-[4-[4-(dimethylamino)phenyl]phenyl]but-2-enal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN(C)c1ccc(cc1)c1ccc(cc1)C(\C)=C\C=O |
| InChI | InChI | 1.06 | InChI=1S/C18H19NO/c1-14(12-13-20)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19(2)3/h4-13H,1-3H3/b14-12+ |
| InChIKey | InChI | 1.06 | YOIKKFCMZQGGQZ-WYMLVPIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1ccc(cc1)c2ccc(cc2)\C(C)=C\C=O |
| SMILES | CACTVS | 3.385 | CN(C)c1ccc(cc1)c2ccc(cc2)C(C)=CC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C/C(=C\C=O)/c1ccc(cc1)c2ccc(cc2)N(C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=CC=O)c1ccc(cc1)c2ccc(cc2)N(C)C |
