RZR
Summary
| Name: | (1R,2S)-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid |
| Formula: | C19 H19 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 353.372 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,2S)-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{S})-1-[[4-(methylcarbamoylamino)phenyl]carbonylamino]-2,3-dihydro-1~{H}-indene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNC(=O)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C19H19N3O4/c1-20-19(26)21-13-8-6-11(7-9-13)17(23)22-16-14-5-3-2-4-12(14)10-15(16)18(24)25/h2-9,15-16H,10H2,1H3,(H,22,23)(H,24,25)(H2,20,21,26)/t15-,16-/m0/s1 |
| InChIKey | InChI | 1.06 | BAKOSBATOMEZBB-HOTGVXAUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)Nc1ccc(cc1)C(=O)N[C@@H]2[C@H](Cc3ccccc23)C(O)=O |
| SMILES | CACTVS | 3.385 | CNC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3ccccc23)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)Nc1ccc(cc1)C(=O)N[C@H]2c3ccccc3C[C@@H]2C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)Nc1ccc(cc1)C(=O)NC2c3ccccc3CC2C(=O)O |
