L6B
Summary
| Name: | methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate |
| Formula: | C15 H18 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 290.314 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H18N2O4/c1-21-13(18)7-4-8-16-14(19)11-9-10-5-2-3-6-12(10)17-15(11)20/h4,8-9H,2-3,5-7H2,1H3,(H,16,19)(H,17,20)/b8-4+ |
| InChIKey | InChI | 1.03 | JTDAYDBLAIIQAZ-XBXARRHUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C/C=C/NC(=O)C1=CC2=C(CCCC2)NC1=O |
| SMILES | CACTVS | 3.385 | COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O |
