Q7B
Summary
| Name: | (1~{S},2~{S})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid |
| Formula: | C18 H18 O2 |
| Formal charge: | 0 |
| Formula weight: | 266.334 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{S})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H18O2/c1-13-7-9-14(10-8-13)11-18(17(19)20)12-16(18)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3,(H,19,20)/t16-,18+/m0/s1 |
| InChIKey | InChI | 1.03 | AKNVQFLVLPRHIR-FUHWJXTLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(C[C@]2(C[C@H]2c3ccccc3)C(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(C[C]2(C[CH]2c3ccccc3)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C[C@]2(C[C@H]2c3ccccc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CC2(CC2c3ccccc3)C(=O)O |
