6-[4-(4-heptylphenyl)butanoylamino]oxy-6-oxidanylidene-5-(quinolin-2-ylcarbonylamino)hexanoic acid

Systemtic Name: 6-[4-(4-heptylphenyl)butanoylamino]oxy-6-oxidanylidene-5-(quinolin-2-ylcarbonylamino)hexanoic acid Openeye Name: 6-[4-(4-heptylphenyl)butanoylamino]oxy-6-oxo-5-(quinoline-2-carbonylamino)hexanoic acid CAS Name: 6-[[4-(4-heptylphenyl)-1-oxobutyl]amino]oxy-6-oxo-5-[[oxo(2-quinolinyl)methyl]amino]hexanoic acid IUPAC Name: 6-[4-(4-heptylphenyl)butanoylamino]oxy-6-oxo-5-(quinoline-2-carbonylamino)hexanoic acid Traditional Name: 6-[4-(4-heptylphenyl)butanoylamino]oxy-6-keto-5-(quinaldoylamino)hexanoic acid Formula: C33H41N3O6 MolecularWeight: 575.69514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)CCCC(=O)NOC(=O)C(CCCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)CCCC(=O)NOC(=O)C(CCCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C33H41N3O6/c1-2-3-4-5-6-11-24-18-20-25(21-19-24)12-9-16-30(37)36-42-33(41)29(15-10-17-31(38)39)35-32(40)28-23-22-26-13-7-8-14-27(26)34-28/h7-8,13-14,18-23,29H,2-6,9-12,15-17H2,1H3,(H,35,40)(H,36,37)(H,38,39)