VKO
Summary
| Name: | 1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid |
| Formula: | C13 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 233.263 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 1-[(2-methylphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1(CC1)C(=O)NCc1ccccc1C |
| InChI | InChI | 1.06 | InChI=1S/C13H15NO3/c1-9-4-2-3-5-10(9)8-14-11(15)13(6-7-13)12(16)17/h2-5H,6-8H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | InChI | 1.06 | ZRJDEOZVQDFPRH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1CNC(=O)C2(CC2)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccccc1CNC(=O)C2(CC2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1CNC(=O)C2(CC2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1CNC(=O)C2(CC2)C(=O)O |
