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 |