O1-(10-phenyldecanoylamino) O6-(phenylmethyl) 2-(quinolin-3-ylcarbonylamino)hexanedioate

Systemtic Name: O1-(10-phenyldecanoylamino) O6-(phenylmethyl) 2-(quinolin-3-ylcarbonylamino)hexanedioate Openeye Name: O6-benzyl O1-(10-phenyldecanoylamino) 2-(quinoline-3-carbonylamino)hexanedioate CAS Name: 2-[[oxo(3-quinolinyl)methyl]amino]hexanedioic acid O1-[(1-oxo-10-phenyldecyl)amino] ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-(10-phenyldecanoylamino) 2-(quinoline-3-carbonylamino)hexanedioate Traditional Name: 2-(quinoline-3-carbonylamino)adipic acid O6-benzyl ester O1-(10-phenyldecanoylamino) ester Formula: C39H45N3O6 MolecularWeight: 651.7911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCCC(=O)NOC(=O)C(CCCC(=O)OCC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCCC(=O)NOC(=O)C(CCCC(=O)OCC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C39H45N3O6/c43-36(25-13-5-3-1-2-4-8-17-30-18-9-6-10-19-30)42-48-39(46)35(24-16-26-37(44)47-29-31-20-11-7-12-21-31)41-38(45)33-27-32-22-14-15-23-34(32)40-28-33/h6-7,9-12,14-15,18-23,27-28,35H,1-5,8,13,16-17,24-26,29H2,(H,41,45)(H,42,43)