N1-[7-cyano-3,4-bis(oxidanyl)-1-phenyl-heptan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[7-cyano-3,4-bis(oxidanyl)-1-phenyl-heptan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-(1-benzyl-6-cyano-2,3-dihydroxy-hexyl)-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-(1-benzyl-6-cyano-2,3-dihydroxy-hexyl)-5-methyl-N',N'-dipropyl-isophthalamide Formula: C29H39N3O4 MolecularWeight: 493.63766

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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(CCCC#N)O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O4/c1-4-15-32(16-5-2)29(36)24-18-21(3)17-23(20-24)28(35)31-25(19-22-11-7-6-8-12-22)27(34)26(33)13-9-10-14-30/h6-8,11-12,17-18,20,25-27,33-34H,4-5,9-10,13,15-16,19H2,1-3H3,(H,31,35)