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

Systemtic Name: O1-(4-naphthalen-2-ylbutanoylamino) O6-(phenylmethyl) 2-[[2-(phenylmethyl)phenyl]carbonylamino]hexanedioate Openeye Name: O6-benzyl O1-[4-(2-naphthyl)butanoylamino] 2-[(2-benzylbenzoyl)amino]hexanedioate CAS Name: 2-[[oxo-[2-(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-[(2-benzylbenzoyl)amino]hexanedioate Traditional Name: 2-[(2-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=C2C(=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=C2C(=O)NC(CCCC(=O)OCC3=CC=CC=C3)C(=O)ONC(=O)CCCC4=CC5=CC=CC=C5C=C4

InChI

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