N1-[6-cyano-3,4-bis(oxidanyl)-1-phenyl-hexan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[6-cyano-3,4-bis(oxidanyl)-1-phenyl-hexan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-(1-benzyl-5-cyano-2,3-dihydroxy-pentyl)-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-(1-benzyl-5-cyano-2,3-dihydroxy-pentyl)-5-methyl-N',N'-dipropyl-isophthalamide Formula: C28H37N3O4 MolecularWeight: 479.61108

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(C(CCC#N)O)O)C

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(C(CCC#N)O)O)C

InChI

InChI=1S/C28H37N3O4/c1-4-14-31(15-5-2)28(35)23-17-20(3)16-22(19-23)27(34)30-24(18-21-10-7-6-8-11-21)26(33)25(32)12-9-13-29/h6-8,10-11,16-17,19,24-26,32-33H,4-5,9,12,14-15,18H2,1-3H3,(H,30,34)