EA4
Summary
Name: | ethyl N-[(4-aminobenzyl)carbamoyl]glycinate |
Formula: | C12 H17 N3 O3 |
Formal charge: | 0 |
Formula weight: | 251.282 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | ethyl N-[(4-aminobenzyl)carbamoyl]glycinate |
OpenEye OEToolkits | 1.7.0 | ethyl 2-[(4-aminophenyl)methylcarbamoylamino]ethanoate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OCC)CNC(=O)NCc1ccc(N)cc1 |
SMILES_CANONICAL | CACTVS | 3.370 | CCOC(=O)CNC(=O)NCc1ccc(N)cc1 |
SMILES | CACTVS | 3.370 | CCOC(=O)CNC(=O)NCc1ccc(N)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCOC(=O)CNC(=O)NCc1ccc(cc1)N |
SMILES | OpenEye OEToolkits | 1.7.0 | CCOC(=O)CNC(=O)NCc1ccc(cc1)N |
InChI | InChI | 1.03 | InChI=1S/C12H17N3O3/c1-2-18-11(16)8-15-12(17)14-7-9-3-5-10(13)6-4-9/h3-6H,2,7-8,13H2,1H3,(H2,14,15,17) |
InChIKey | InChI | 1.03 | UCMPTJMHPJQEED-UHFFFAOYSA-N |