723
Summary
| Name: | (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid |
| Formula: | C17 H12 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 313.735 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)CC1=C(c2ccccc2)c3cc(Cl)ccc3NC1=O |
| SMILES | CACTVS | 3.352 | OC(=O)CC1=C(c2ccccc2)c3cc(Cl)ccc3NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C2=C(C(=O)Nc3c2cc(cc3)Cl)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C2=C(C(=O)Nc3c2cc(cc3)Cl)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H12ClNO3/c18-11-6-7-14-12(8-11)16(10-4-2-1-3-5-10)13(9-15(20)21)17(22)19-14/h1-8H,9H2,(H,19,22)(H,20,21) |
| InChIKey | InChI | 1.03 | SHDUUQWYFNJIAG-UHFFFAOYSA-N |
