A1JVF
Summary
| Name: | 1-[2-(3-oxidanylidene-6-phenyl-1,4-benzoxazin-4-yl)ethanoylamino]cyclohexane-1-carboxylic acid |
| Formula: | C23 H24 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 408.447 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2-(3-oxidanylidene-6-phenyl-1,4-benzoxazin-4-yl)ethanoylamino]cyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H24N2O5/c26-20(24-23(22(28)29)11-5-2-6-12-23)14-25-18-13-17(16-7-3-1-4-8-16)9-10-19(18)30-15-21(25)27/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,24,26)(H,28,29) |
| InChIKey | InChI | 1.06 | LVTCULNFHJHEPF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)COc3ccc(cc23)c4ccccc4 |
| SMILES | CACTVS | 3.385 | OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)COc3ccc(cc23)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc3c(c2)N(C(=O)CO3)CC(=O)NC4(CCCCC4)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc3c(c2)N(C(=O)CO3)CC(=O)NC4(CCCCC4)C(=O)O |
