A1EC4
Summary
| Name: | 4-[[(7-fluoranyl-3,4-dihydro-2~{H}-chromen-3-yl)carbonyl-methyl-amino]methyl]benzoic acid |
| Formula: | C19 H16 F N O4 |
| Formal charge: | 0 |
| Formula weight: | 341.333 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[[(7-fluoranyl-2~{H}-chromen-3-yl)carbonyl-methyl-amino]methyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H16FNO4/c1-21(10-12-2-4-13(5-3-12)19(23)24)18(22)15-8-14-6-7-16(20)9-17(14)25-11-15/h2-9H,10-11H2,1H3,(H,23,24) |
| InChIKey | InChI | 1.06 | OQIUBBLCWUHZFT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1ccc(cc1)C(O)=O)C(=O)C2=Cc3ccc(F)cc3OC2 |
| SMILES | CACTVS | 3.385 | CN(Cc1ccc(cc1)C(O)=O)C(=O)C2=Cc3ccc(F)cc3OC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(Cc1ccc(cc1)C(=O)O)C(=O)C2=Cc3ccc(cc3OC2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(Cc1ccc(cc1)C(=O)O)C(=O)C2=Cc3ccc(cc3OC2)F |
