O1-(2-methylpropylcarbamoylamino) O5-(phenylmethyl) 2-[(4-naphthalen-2-ylphenyl)methyl]-4-phenethyl-pentanedioate

Systemtic Name: O1-(2-methylpropylcarbamoylamino) O5-(phenylmethyl) 2-[(4-naphthalen-2-ylphenyl)methyl]-4-phenethyl-pentanedioate Openeye Name: O1-benzyl O5-(isobutylcarbamoylamino) 4-[[4-(2-naphthyl)phenyl]methyl]-2-phenethyl-pentanedioate CAS Name: 2-[[4-(2-naphthalenyl)phenyl]methyl]-4-phenethylpentanedioic acid O1-[[(2-methylpropylamino)-oxomethyl]amino] ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-(2-methylpropylcarbamoylamino) 2-[(4-naphthalen-2-ylphenyl)methyl]-4-phenethylpentanedioate Traditional Name: 4-[4-(2-naphthyl)benzyl]-2-phenethyl-glutaric acid O1-benzyl ester O5-(isobutylcarbamoylamino) ester Formula: C42H44N2O5 MolecularWeight: 656.80916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NOC(=O)C(CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C=C2)CC(CCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)CNC(=O)NOC(=O)C(CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C=C2)CC(CCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C42H44N2O5/c1-30(2)28-43-42(47)44-49-41(46)39(25-32-18-20-35(21-19-32)37-24-23-34-15-9-10-16-36(34)26-37)27-38(22-17-31-11-5-3-6-12-31)40(45)48-29-33-13-7-4-8-14-33/h3-16,18-21,23-24,26,30,38-39H,17,22,25,27-29H2,1-2H3,(H2,43,44,47)