O1-(5-naphthalen-2-ylpentanoylamino) O6-(phenylmethyl) 2-(quinolin-2-ylcarbonylamino)hexanedioate

Systemtic Name: O1-(5-naphthalen-2-ylpentanoylamino) O6-(phenylmethyl) 2-(quinolin-2-ylcarbonylamino)hexanedioate Openeye Name: O6-benzyl O1-[5-(2-naphthyl)pentanoylamino] 2-(quinoline-2-carbonylamino)hexanedioate CAS Name: 2-[[oxo(2-quinolinyl)methyl]amino]hexanedioic acid O1-[[5-(2-naphthalenyl)-1-oxopentyl]amino] ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-(5-naphthalen-2-ylpentanoylamino) 2-(quinoline-2-carbonylamino)hexanedioate Traditional Name: 2-(quinaldoylamino)adipic acid O6-benzyl ester O1-[5-(2-naphthyl)pentanoylamino] ester Formula: C38H37N3O6 MolecularWeight: 631.71688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)ONC(=O)CCCCC2=CC3=CC=CC=C3C=C2)NC(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)ONC(=O)CCCCC2=CC3=CC=CC=C3C=C2)NC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C38H37N3O6/c42-35(19-9-4-11-27-21-22-29-14-5-6-16-31(29)25-27)41-47-38(45)34(18-10-20-36(43)46-26-28-12-2-1-3-13-28)40-37(44)33-24-23-30-15-7-8-17-32(30)39-33/h1-3,5-8,12-17,21-25,34H,4,9-11,18-20,26H2,(H,40,44)(H,41,42)