5TQ
Summary
| Name: | 4-(8-fluoranyl-6-oxidanylidene-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-2-yl)butanoic acid |
| Formula: | C16 H17 F N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 304.316 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 4-(8-fluoranyl-6-oxidanylidene-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-2-yl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17FN2O3/c17-10-3-4-11-12(8-10)16(22)18-14-5-7-19(9-13(11)14)6-1-2-15(20)21/h3-4,8H,1-2,5-7,9H2,(H,18,22)(H,20,21) |
| InChIKey | InChI | 1.03 | HXURHTYUPWDBOT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCN1CCC2=C(C1)c3ccc(F)cc3C(=O)N2 |
| SMILES | CACTVS | 3.385 | OC(=O)CCCN1CCC2=C(C1)c3ccc(F)cc3C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)CCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)CCCC(=O)O |
