7NP
Summary
| Name: | (2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one |
| Synonyms: | Bound form of 7-METHOXY-2-(PIPERIDIN-1-YLMETHYL)-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE HYDROCHLORDIDE |
| Formula: | C12 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 190.238 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one |
| OpenEye OEToolkits | 1.7.6 | (2S)-7-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1c(ccc(OC)c1)CCC2C |
| InChI | InChI | 1.03 | InChI=1S/C12H14O2/c1-8-3-4-9-5-6-10(14-2)7-11(9)12(8)13/h5-8H,3-4H2,1-2H3/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | YVPRDJIRFPVNJW-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2CC[C@H](C)C(=O)c2c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2CC[CH](C)C(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]1CCc2ccc(cc2C1=O)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1CCc2ccc(cc2C1=O)OC |
