A1D5F
Summary
| Name: | 4-oxidanylbutyl ~{N}-[4-[(4-aminophenyl)methyl]phenyl]carbamate |
| Formula: | C18 H22 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 314.379 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-oxidanylbutyl ~{N}-[4-[(4-aminophenyl)methyl]phenyl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H22N2O3/c19-16-7-3-14(4-8-16)13-15-5-9-17(10-6-15)20-18(22)23-12-2-1-11-21/h3-10,21H,1-2,11-13,19H2,(H,20,22) |
| InChIKey | InChI | 1.06 | UWOCPQGJYMGPEI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(Cc2ccc(NC(=O)OCCCCO)cc2)cc1 |
| SMILES | CACTVS | 3.385 | Nc1ccc(Cc2ccc(NC(=O)OCCCCO)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Cc2ccc(cc2)NC(=O)OCCCCO)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Cc2ccc(cc2)NC(=O)OCCCCO)N |
