|
PDBeChem : Molecule Descriptors
Molecule : FG7
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3 |
2 |
InChIKey
|
InChI |
1.03 |
ZMCBYSBVJIMENC-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
O=C(OCC)c1cc(N)ccc1 |
4 |
SMILES
|
CACTVS |
3.370 |
CCOC(=O)c1cccc(N)c1 |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
CCOC(=O)c1cccc(c1)N |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
CCOC(=O)c1cccc(N)c1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
CCOC(=O)c1cccc(c1)N |
|