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

Systemtic Name: O1-(2-methylpropylcarbamoylamino) O5-(phenylmethyl) 2-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxidanyl-pentanedioate Openeye Name: O1-benzyl O5-(isobutylcarbamoylamino) 2-hydroxy-4-[[4-(4-methoxyphenyl)phenyl]methyl]pentanedioate CAS Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)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-methoxyphenyl)phenyl]methyl]pentanedioate Traditional Name: 2-hydroxy-4-[4-(4-methoxyphenyl)benzyl]glutaric acid O1-benzyl ester O5-(isobutylcarbamoylamino) ester Formula: C31H36N2O7 MolecularWeight: 548.62674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NOC(=O)C(CC1=CC=C(C=C1)C2=CC=C(C=C2)OC)CC(C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)CNC(=O)NOC(=O)C(CC1=CC=C(C=C1)C2=CC=C(C=C2)OC)CC(C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C31H36N2O7/c1-21(2)19-32-31(37)33-40-29(35)26(18-28(34)30(36)39-20-23-7-5-4-6-8-23)17-22-9-11-24(12-10-22)25-13-15-27(38-3)16-14-25/h4-16,21,26,28,34H,17-20H2,1-3H3,(H2,32,33,37)