N,N'-bis[(5S)-2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl]dodecanediamide

Systemtic Name: N,N'-bis[(5S)-2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl]dodecanediamide Openeye Name: N,N'-bis[(5S)-2-benzyloxy-5,6,7,8-tetrahydroquinolin-5-yl]dodecanediamide CAS Name: N,N'-bis[(5S)-2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl]dodecanediamide IUPAC Name: N,N'-bis[(5S)-2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl]dodecanediamide Traditional Name: N,N'-bis[(5S)-2-benzoxy-5,6,7,8-tetrahydroquinolin-5-yl]dodecanediamide Formula: C44H54N4O4 MolecularWeight: 702.92396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N=C(C=C2)OCC3=CC=CC=C3)NC(=O)CCCCCCCCCCC(=O)NC4CCCC5=C4C=CC(=N5)OCC6=CC=CC=C6

Isomeric SMILES

C1C[C@@H](C2=C(C1)N=C(C=C2)OCC3=CC=CC=C3)NC(=O)CCCCCCCCCCC(=O)N[C@H]4CCCC5=C4C=CC(=N5)OCC6=CC=CC=C6

InChI

InChI=1S/C44H54N4O4/c49-41(45-37-21-15-23-39-35(37)27-29-43(47-39)51-31-33-17-9-7-10-18-33)25-13-5-3-1-2-4-6-14-26-42(50)46-38-22-16-24-40-36(38)28-30-44(48-40)52-32-34-19-11-8-12-20-34/h7-12,17-20,27-30,37-38H,1-6,13-16,21-26,31-32H2,(H,45,49)(H,46,50)/t37-,38-/m0/s1