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

Systemtic Name: O1-(4-naphthalen-2-ylbutanoylamino) O6-(phenylmethyl) 2-[(2-phenethylphenyl)carbonylamino]hexanedioate Openeye Name: O6-benzyl O1-[4-(2-naphthyl)butanoylamino] 2-[(2-phenethylbenzoyl)amino]hexanedioate CAS Name: 2-[[oxo-(2-phenethylphenyl)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-phenethylbenzoyl)amino]hexanedioate Traditional Name: 2-[(2-phenethylbenzoyl)amino]adipic acid O6-benzyl ester O1-[4-(2-naphthyl)butanoylamino] ester Formula: C42H42N2O6 MolecularWeight: 670.79268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=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)CCC2=CC=CC=C2C(=O)NC(CCCC(=O)OCC3=CC=CC=C3)C(=O)ONC(=O)CCCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C42H42N2O6/c45-39(23-11-17-32-26-27-34-18-7-8-20-36(34)29-32)44-50-42(48)38(22-12-24-40(46)49-30-33-15-5-2-6-16-33)43-41(47)37-21-10-9-19-35(37)28-25-31-13-3-1-4-14-31/h1-10,13-16,18-21,26-27,29,38H,11-12,17,22-25,28,30H2,(H,43,47)(H,44,45)