1-azepanecarboxylic acid (7-chloro-4-quinolinyl) ester

Properties Image MNX_ID MNXM343333 reference chebi:107479 formula C16H17ClN2O2 global charge 0 mol weight 304.777 InChIKey QBGNBCNFOZTKHI-UHFFFAOYSA-N InChI InChI=1S/C16H17ClN2O2/c17-12-5-6-13-14(11-12)18-8-7-15(13)21-16(20)19-9-3-1-2-4-10-19/h5-8,11H,1-4,9-10H2 SMILES O=C(OC1=CC=NC2=CC(Cl)=CC=C21)N1CCCCCC1 MNX internals InChI (mnx) InChI=1/C16H17ClN2O2/c17-12-5-6-13-14(11-12)18-8-7-15(13)21-16(20)19-9-3-1-2-4-10-19/h5-8,11H,1-4,9-10H2 SMILES (mnx) [CH2:1]1[CH2:2][CH2:4][CH2:10][N:19]([C:16](=[O:20])[O:21][C:15]2=[CH:7][CH:8]=[N:18][C:14]3=[C:13]2[CH:6]=[CH:5][C:12]([Cl:17])=[CH:11]3)[CH2:9][CH2:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0