1,2-dihydroquinolin-7-yl 3-(1H-benzimidazol-2-yl)-6-fluoranyl-1-(octan-3-ylamino)-2-oxidanylidene-piperidine-4-carboxylate

Systemtic Name: 1,2-dihydroquinolin-7-yl 3-(1H-benzimidazol-2-yl)-6-fluoranyl-1-(octan-3-ylamino)-2-oxidanylidene-piperidine-4-carboxylate Openeye Name: 1,2-dihydroquinolin-7-yl 3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-6-fluoro-2-oxo-piperidine-4-carboxylate CAS Name: 3-(1H-benzimidazol-2-yl)-6-fluoro-1-(octan-3-ylamino)-2-oxo-4-piperidinecarboxylic acid 1,2-dihydroquinolin-7-yl ester IUPAC Name: 1,2-dihydroquinolin-7-yl 3-(1H-benzimidazol-2-yl)-6-fluoro-1-(octan-3-ylamino)-2-oxopiperidine-4-carboxylate Traditional Name: 3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-6-fluoro-2-keto-isonipecotic acid 1,2-dihydroquinolin-7-yl ester Formula: C30H36FN5O3 MolecularWeight: 533.636943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NN1C(CC(C(C1=O)C2=NC3=CC=CC=C3N2)C(=O)OC4=CC5=C(C=CCN5)C=C4)F

Isomeric SMILES

CCCCCC(CC)NN1C(CC(C(C1=O)C2=NC3=CC=CC=C3N2)C(=O)OC4=CC5=C(C=CCN5)C=C4)F

InChI

InChI=1S/C30H36FN5O3/c1-3-5-6-11-20(4-2)35-36-26(31)18-22(27(29(36)37)28-33-23-12-7-8-13-24(23)34-28)30(38)39-21-15-14-19-10-9-16-32-25(19)17-21/h7-10,12-15,17,20,22,26-27,32,35H,3-6,11,16,18H2,1-2H3,(H,33,34)