70G
Summary
| Name: | 3-[(1R)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid |
| Formula: | C14 H18 O2 |
| Formal charge: | 0 |
| Formula weight: | 218.292 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(1R)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid |
| OpenEye OEToolkits | 2.0.5 | 3-[(1~{R})-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(O)=O)CC2c1c(C)cccc1CCC2 |
| InChI | InChI | 1.03 | InChI=1S/C14H18O2/c1-10-4-2-5-11-6-3-7-12(14(10)11)8-9-13(15)16/h2,4-5,12H,3,6-9H2,1H3,(H,15,16)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | IAGVZFLDKNPTAP-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc2CCC[C@H](CCC(O)=O)c12 |
| SMILES | CACTVS | 3.385 | Cc1cccc2CCC[CH](CCC(O)=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1cccc2c1[C@H](CCC2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1cccc2c1C(CCC2)CCC(=O)O |
