OK1
Summary
| Name: | 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid |
| Formula: | C15 H16 Cl N O5 |
| Formal charge: | 0 |
| Formula weight: | 325.744 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[5-chloranyl-6-(cyclobutylmethoxy)-2-oxidanylidene-1,3-benzoxazol-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H16ClNO5/c16-10-6-11-13(7-12(10)21-8-9-2-1-3-9)22-15(20)17(11)5-4-14(18)19/h6-7,9H,1-5,8H2,(H,18,19) |
| InChIKey | InChI | 1.03 | VZSAISDQEBTHJE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCN1C(=O)Oc2cc(OCC3CCC3)c(Cl)cc12 |
| SMILES | CACTVS | 3.385 | OC(=O)CCN1C(=O)Oc2cc(OCC3CCC3)c(Cl)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c2c(cc(c1Cl)OCC3CCC3)OC(=O)N2CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c2c(cc(c1Cl)OCC3CCC3)OC(=O)N2CCC(=O)O |
