N1-[3,4-bis(oxidanyl)-1-pyridin-4-yl-nonan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide

Systemtic Name: N1-[3,4-bis(oxidanyl)-1-pyridin-4-yl-nonan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-[2,3-dihydroxy-1-(4-pyridylmethyl)octyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-(3,4-dihydroxy-1-pyridin-4-ylnonan-2-yl)-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-(3,4-dihydroxy-1-pyridin-4-ylnonan-2-yl)-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-[2,3-dihydroxy-1-(4-pyridylmethyl)octyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C29H42N4O5 MolecularWeight: 526.66758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(CC1=CC=NC=C1)NC(=O)C2=CC(=CC(=C2)C(=O)N)C(=O)N(CCC)CCC)O)O

Isomeric SMILES

CCCCCC(C(C(CC1=CC=NC=C1)NC(=O)C2=CC(=CC(=C2)C(=O)N)C(=O)N(CCC)CCC)O)O

InChI

InChI=1S/C29H42N4O5/c1-4-7-8-9-25(34)26(35)24(16-20-10-12-31-13-11-20)32-28(37)22-17-21(27(30)36)18-23(19-22)29(38)33(14-5-2)15-6-3/h10-13,17-19,24-26,34-35H,4-9,14-16H2,1-3H3,(H2,30,36)(H,32,37)