KBF
Summary
| Name: | 3-oxidanyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]naphthalene-2-carboxamide |
| Synonyms: | 3-hydroxy-N-(tetrahydrofuran-2-ylmethyl)naphthalene-2-carboxamide |
| Formula: | C16 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 271.311 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-oxidanyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]naphthalene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17NO3/c18-15-9-12-5-2-1-4-11(12)8-14(15)16(19)17-10-13-6-3-7-20-13/h1-2,4-5,8-9,13,18H,3,6-7,10H2,(H,17,19)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | DBYOJRHWEJEBCL-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc2ccccc2cc1C(=O)NC[C@H]3CCCO3 |
| SMILES | CACTVS | 3.385 | Oc1cc2ccccc2cc1C(=O)NC[CH]3CCCO3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2cc(c(cc2c1)C(=O)NC[C@H]3CCCO3)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2cc(c(cc2c1)C(=O)NCC3CCCO3)O |
