O1-(6-nonoxyhexanoylamino) O6-(phenylmethyl) 2-(quinolin-2-ylcarbonylamino)hexanedioate

Systemtic Name: O1-(6-nonoxyhexanoylamino) O6-(phenylmethyl) 2-(quinolin-2-ylcarbonylamino)hexanedioate Openeye Name: O6-benzyl O1-(6-nonoxyhexanoylamino) 2-(quinoline-2-carbonylamino)hexanedioate CAS Name: 2-[[oxo(2-quinolinyl)methyl]amino]hexanedioic acid O1-[(6-nonoxy-1-oxohexyl)amino] ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-(6-nonoxyhexanoylamino) 2-(quinoline-2-carbonylamino)hexanedioate Traditional Name: 2-(quinaldoylamino)adipic acid O6-benzyl ester O1-(6-nonoxyhexanoylamino) ester Formula: C38H51N3O7 MolecularWeight: 661.82744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOCCCCCC(=O)NOC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCCCCCOCCCCCC(=O)NOC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C38H51N3O7/c1-2-3-4-5-6-7-15-27-46-28-16-9-12-23-35(42)41-48-38(45)34(22-17-24-36(43)47-29-30-18-10-8-11-19-30)40-37(44)33-26-25-31-20-13-14-21-32(31)39-33/h8,10-11,13-14,18-21,25-26,34H,2-7,9,12,15-17,22-24,27-29H2,1H3,(H,40,44)(H,41,42)