5M8
Summary
| Name: | 6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid |
| Formula: | C17 H12 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 297.736 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21) |
| InChIKey | InChI | 1.03 | DTGFDMHLQGULMA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2ccc(Cl)cc2c(c3ccccc3)c1C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1nc2ccc(Cl)cc2c(c3ccccc3)c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O |
