89C
Summary
| Name: | 4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one |
| Formula: | C17 H15 N O4 |
| Formal charge: | 0 |
| Formula weight: | 297.305 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H15NO4/c1-18(11-7-8-16(21-2)14(19)9-11)13-10-17(20)22-15-6-4-3-5-12(13)15/h3-10,19H,1-2H3 |
| InChIKey | InChI | 1.03 | RYPRBMJTFFTZNM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1O)N(C)C2=CC(=O)Oc3ccccc23 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1O)N(C)C2=CC(=O)Oc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(c1ccc(c(c1)O)OC)C2=CC(=O)Oc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(c1ccc(c(c1)O)OC)C2=CC(=O)Oc3c2cccc3 |
