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

Systemtic Name: N1-[3,4-bis(oxidanyl)-1-pyridin-4-yl-nonan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[2,3-dihydroxy-1-(4-pyridylmethyl)octyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-(3,4-dihydroxy-1-pyridin-4-ylnonan-2-yl)-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-(3,4-dihydroxy-1-pyridin-4-ylnonan-2-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[2,3-dihydroxy-1-(4-pyridylmethyl)octyl]-5-methyl-N',N'-dipropyl-isophthalamide Formula: C29H43N3O4 MolecularWeight: 497.66942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H43N3O4/c1-5-8-9-10-26(33)27(34)25(19-22-11-13-30-14-12-22)31-28(35)23-17-21(4)18-24(20-23)29(36)32(15-6-2)16-7-3/h11-14,17-18,20,25-27,33-34H,5-10,15-16,19H2,1-4H3,(H,31,35)