N3-butyl-5-(2-cyanophenyl)-N3-methyl-N1-[(2S,3S)-3-oxidanyl-1-phenyl-heptan-2-yl]benzene-1,3-dicarboxamide

Systemtic Name: N3-butyl-5-(2-cyanophenyl)-N3-methyl-N1-[(2S,3S)-3-oxidanyl-1-phenyl-heptan-2-yl]benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2S)-1-benzyl-2-hydroxy-hexyl]-N3-butyl-5-(2-cyanophenyl)-N3-methyl-benzene-1,3-dicarboxamide CAS Name: N3-butyl-5-(2-cyanophenyl)-N1-[(2S,3S)-3-hydroxy-1-phenylheptan-2-yl]-N3-methylbenzene-1,3-dicarboxamide IUPAC Name: 3-N-butyl-5-(2-cyanophenyl)-1-N-[(2S,3S)-3-hydroxy-1-phenylheptan-2-yl]-3-N-methylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2S)-1-benzyl-2-hydroxy-hexyl]-N'-butyl-5-(2-cyanophenyl)-N'-methyl-isophthalamide Formula: C33H39N3O3 MolecularWeight: 525.68106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C3=CC=CC=C3C#N)C(=O)N(C)CCCC)O

Isomeric SMILES

CCCC[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C3=CC=CC=C3C#N)C(=O)N(C)CCCC)O

InChI

InChI=1S/C33H39N3O3/c1-4-6-17-31(37)30(19-24-13-9-8-10-14-24)35-32(38)27-20-26(29-16-12-11-15-25(29)23-34)21-28(22-27)33(39)36(3)18-7-5-2/h8-16,20-22,30-31,37H,4-7,17-19H2,1-3H3,(H,35,38)/t30-,31-/m0/s1