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

Systemtic Name: O1-(4-naphthalen-2-ylbutanoylamino) O6-(phenylmethyl) 2-[[2-(2-oxidanylidene-2-phenylmethoxy-ethyl)phenyl]carbonylamino]hexanedioate Openeye Name: O6-benzyl O1-[4-(2-naphthyl)butanoylamino] 2-[[2-(2-benzyloxy-2-oxo-ethyl)benzoyl]amino]hexanedioate CAS Name: 2-[[oxo-[2-(2-oxo-2-phenylmethoxyethyl)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-(2-oxo-2-phenylmethoxyethyl)benzoyl]amino]hexanedioate Traditional Name: 2-[[2-(2-benzoxy-2-keto-ethyl)benzoyl]amino]adipic acid O6-benzyl ester O1-[4-(2-naphthyl)butanoylamino] ester Formula: C43H42N2O8 MolecularWeight: 714.80218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)ONC(=O)CCCC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4CC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)ONC(=O)CCCC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4CC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C43H42N2O8/c46-39(23-11-17-31-25-26-34-18-7-8-19-35(34)27-31)45-53-43(50)38(22-12-24-40(47)51-29-32-13-3-1-4-14-32)44-42(49)37-21-10-9-20-36(37)28-41(48)52-30-33-15-5-2-6-16-33/h1-10,13-16,18-21,25-27,38H,11-12,17,22-24,28-30H2,(H,44,49)(H,45,46)