O1-(2-methylpropylcarbamoylamino) O5-(phenylmethyl) 2-[[4-(4-methylphenyl)phenyl]methyl]-4-oxidanyl-pentanedioate

Systemtic Name: O1-(2-methylpropylcarbamoylamino) O5-(phenylmethyl) 2-[[4-(4-methylphenyl)phenyl]methyl]-4-oxidanyl-pentanedioate Openeye Name: O1-benzyl O5-(isobutylcarbamoylamino) 2-hydroxy-4-[[4-(p-tolyl)phenyl]methyl]pentanedioate CAS Name: 4-hydroxy-2-[[4-(4-methylphenyl)phenyl]methyl]pentanedioic acid O1-[[(2-methylpropylamino)-oxomethyl]amino] ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-(2-methylpropylcarbamoylamino) 4-hydroxy-2-[[4-(4-methylphenyl)phenyl]methyl]pentanedioate Traditional Name: 2-hydroxy-4-[4-(p-tolyl)benzyl]glutaric acid O1-benzyl ester O5-(isobutylcarbamoylamino) ester Formula: C31H36N2O6 MolecularWeight: 532.62734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(CC(C(=O)OCC3=CC=CC=C3)O)C(=O)ONC(=O)NCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(CC(C(=O)OCC3=CC=CC=C3)O)C(=O)ONC(=O)NCC(C)C

InChI

InChI=1S/C31H36N2O6/c1-21(2)19-32-31(37)33-39-29(35)27(18-28(34)30(36)38-20-24-7-5-4-6-8-24)17-23-11-15-26(16-12-23)25-13-9-22(3)10-14-25/h4-16,21,27-28,34H,17-20H2,1-3H3,(H2,32,33,37)