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

Systemtic Name: N1-[3,4-bis(oxidanyl)-1-pyridin-4-yl-octan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[2,3-dihydroxy-1-(4-pyridylmethyl)heptyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[2,3-dihydroxy-1-(4-pyridylmethyl)heptyl]-5-methyl-N',N'-dipropyl-isophthalamide Formula: C28H41N3O4 MolecularWeight: 483.64284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41N3O4/c1-5-8-9-25(32)26(33)24(18-21-10-12-29-13-11-21)30-27(34)22-16-20(4)17-23(19-22)28(35)31(14-6-2)15-7-3/h10-13,16-17,19,24-26,32-33H,5-9,14-15,18H2,1-4H3,(H,30,34)