O1-[4-(4-heptylphenyl)butanoylamino] O6-(phenylmethyl) 2-(quinolin-2-ylcarbonylamino)hexanedioate

Systemtic Name: O1-[4-(4-heptylphenyl)butanoylamino] O6-(phenylmethyl) 2-(quinolin-2-ylcarbonylamino)hexanedioate Openeye Name: O6-benzyl O1-[4-(4-heptylphenyl)butanoylamino] 2-(quinoline-2-carbonylamino)hexanedioate CAS Name: 2-[[oxo(2-quinolinyl)methyl]amino]hexanedioic acid O1-[[4-(4-heptylphenyl)-1-oxobutyl]amino] ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-[4-(4-heptylphenyl)butanoylamino] 2-(quinoline-2-carbonylamino)hexanedioate Traditional Name: 2-(quinaldoylamino)adipic acid O6-benzyl ester O1-[4-(4-heptylphenyl)butanoylamino] ester Formula: C40H47N3O6 MolecularWeight: 665.81768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)CCCC(=O)NOC(=O)C(CCCC(=O)OCC2=CC=CC=C2)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)CCCC(=O)NOC(=O)C(CCCC(=O)OCC2=CC=CC=C2)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C40H47N3O6/c1-2-3-4-5-7-14-30-23-25-31(26-24-30)17-12-21-37(44)43-49-40(47)36(20-13-22-38(45)48-29-32-15-8-6-9-16-32)42-39(46)35-28-27-33-18-10-11-19-34(33)41-35/h6,8-11,15-16,18-19,23-28,36H,2-5,7,12-14,17,20-22,29H2,1H3,(H,42,46)(H,43,44)