N-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-[3-(1-hydroxyethyl)-2-nitro-phenoxy]pentanamide

Systemtic Name: N-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-[3-(1-hydroxyethyl)-2-nitro-phenoxy]pentanamide Openeye Name: N-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-[3-(1-hydroxyethyl)-2-nitro-phenoxy]pentanamide CAS Name: N-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-[3-(1-hydroxyethyl)-2-nitrophenoxy]pentanamide IUPAC Name: N-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-[3-(1-hydroxyethyl)-2-nitrophenoxy]pentanamide Traditional Name: N-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-[3-(1-hydroxyethyl)-2-nitro-phenoxy]valeramide Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=CC=C1)OCCCCC(=O)NN2CCCC3C2CCCC3)[N+](=O)[O-])O

Isomeric SMILES

CC(C1=C(C(=CC=C1)OCCCCC(=O)NN2CCCC3C2CCCC3)[N+](=O)[O-])O

InChI

InChI=1S/C22H33N3O5/c1-16(26)18-10-6-12-20(22(18)25(28)29)30-15-5-4-13-21(27)23-24-14-7-9-17-8-2-3-11-19(17)24/h6,10,12,16-17,19,26H,2-5,7-9,11,13-15H2,1H3,(H,23,27)