L6E
Summary
Name: | [2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate |
Formula: | C17 H21 N3 O5 |
Formal charge: | 0 |
Formula weight: | 347.366 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | [2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H21N3O5/c1-18-14(21)10-25-15(22)7-4-8-19-16(23)12-9-11-5-2-3-6-13(11)20-17(12)24/h4,7,9H,2-3,5-6,8,10H2,1H3,(H,18,21)(H,19,23)(H,20,24)/b7-4+ |
InChIKey | InChI | 1.03 | TVQYRIKRPWLBEA-QPJJXVBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)COC(=O)\C=C\CNC(=O)C1=CC2=C(CCCC2)NC1=O |
SMILES | CACTVS | 3.385 | CNC(=O)COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)COC(=O)/C=C/CNC(=O)C1=CC2=C(CCCC2)NC1=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O |