FYK
Summary
Name: | 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid |
Formula: | C13 H12 Cl N O5 |
Formal charge: | 0 |
Formula weight: | 297.691 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 3-(5-chloranyl-6-cyclopropyloxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C13H12ClNO5/c14-8-5-9-11(6-10(8)19-7-1-2-7)20-13(18)15(9)4-3-12(16)17/h5-7H,1-4H2,(H,16,17) |
InChIKey | InChI | 1.03 | AYXQPTCYJAJHBG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCN1C(=O)Oc2cc(OC3CC3)c(Cl)cc12 |
SMILES | CACTVS | 3.385 | OC(=O)CCN1C(=O)Oc2cc(OC3CC3)c(Cl)cc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O |