5IH
Summary
| Name: | 3,4-dimethyl-7-[[(3~{S})-piperidin-3-yl]methoxy]chromen-2-one |
| Formula: | C17 H21 N O3 |
| Formal charge: | 0 |
| Formula weight: | 287.354 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,4-dimethyl-7-[[(3~{S})-piperidin-3-yl]methoxy]chromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H21NO3/c1-11-12(2)17(19)21-16-8-14(5-6-15(11)16)20-10-13-4-3-7-18-9-13/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | YHENGJCSDIHDOJ-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(C)c2ccc(OC[C@H]3CCCNC3)cc2OC1=O |
| SMILES | CACTVS | 3.385 | CC1=C(C)c2ccc(OC[CH]3CCCNC3)cc2OC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)Oc2c1ccc(c2)OC[C@H]3CCCNC3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)Oc2c1ccc(c2)OCC3CCCNC3)C |
