O1-(4-naphthalen-2-ylbutanoylamino) O6-(phenylmethyl) 2-[[3-(phenylmethyl)phenyl]carbonylamino]hexanedioate

Systemtic Name: O1-(4-naphthalen-2-ylbutanoylamino) O6-(phenylmethyl) 2-[[3-(phenylmethyl)phenyl]carbonylamino]hexanedioate Openeye Name: O6-benzyl O1-[4-(2-naphthyl)butanoylamino] 2-[(3-benzylbenzoyl)amino]hexanedioate CAS Name: 2-[[oxo-[3-(phenylmethyl)phenyl]methyl]amino]hexanedioic acid O1-[[4-(2-naphthalenyl)-1-oxobutyl]amino] ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-(4-naphthalen-2-ylbutanoylamino) 2-[(3-benzylbenzoyl)amino]hexanedioate Traditional Name: 2-[(3-benzylbenzoyl)amino]adipic acid O6-benzyl ester O1-[4-(2-naphthyl)butanoylamino] ester Formula: C41H40N2O6 MolecularWeight: 656.7661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=O)NC(CCCC(=O)OCC3=CC=CC=C3)C(=O)ONC(=O)CCCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=O)NC(CCCC(=O)OCC3=CC=CC=C3)C(=O)ONC(=O)CCCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C41H40N2O6/c44-38(22-10-16-31-24-25-34-18-7-8-19-35(34)27-31)43-49-41(47)37(21-11-23-39(45)48-29-32-14-5-2-6-15-32)42-40(46)36-20-9-17-33(28-36)26-30-12-3-1-4-13-30/h1-9,12-15,17-20,24-25,27-28,37H,10-11,16,21-23,26,29H2,(H,42,46)(H,43,44)