1-hexyl-6-methoxy-5-[(4-nitrophenyl)methoxy]-3,4-dihydroisoquinoline

Systemtic Name: 1-hexyl-6-methoxy-5-[(4-nitrophenyl)methoxy]-3,4-dihydroisoquinoline Openeye Name: 1-hexyl-6-methoxy-5-[(4-nitrophenyl)methoxy]-3,4-dihydroisoquinoline CAS Name: 1-hexyl-6-methoxy-5-[(4-nitrophenyl)methoxy]-3,4-dihydroisoquinoline IUPAC Name: 1-hexyl-6-methoxy-5-[(4-nitrophenyl)methoxy]-3,4-dihydroisoquinoline Traditional Name: 1-hexyl-6-methoxy-5-(4-nitrobenzyl)oxy-3,4-dihydroisoquinoline Formula: C23H28N2O4 MolecularWeight: 396.47942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NCCC2=C1C=CC(=C2OCC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCCC1=NCCC2=C1C=CC(=C2OCC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H28N2O4/c1-3-4-5-6-7-21-19-12-13-22(28-2)23(20(19)14-15-24-21)29-16-17-8-10-18(11-9-17)25(26)27/h8-13H,3-7,14-16H2,1-2H3