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

Systemtic Name: O1-(2-methylpropylcarbamoylamino) O5-(phenylmethyl) 2-[[4-(4-hydroxyphenyl)phenyl]methyl]-4-oxidanyl-pentanedioate Openeye Name: O1-benzyl O5-(isobutylcarbamoylamino) 2-hydroxy-4-[[4-(4-hydroxyphenyl)phenyl]methyl]pentanedioate CAS Name: 4-hydroxy-2-[[4-(4-hydroxyphenyl)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-hydroxyphenyl)phenyl]methyl]pentanedioate Traditional Name: 2-hydroxy-4-[4-(4-hydroxyphenyl)benzyl]glutaric acid O1-benzyl ester O5-(isobutylcarbamoylamino) ester Formula: C30H34N2O7 MolecularWeight: 534.60016

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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)O)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)O)CC(C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C30H34N2O7/c1-20(2)18-31-30(37)32-39-28(35)25(17-27(34)29(36)38-19-22-6-4-3-5-7-22)16-21-8-10-23(11-9-21)24-12-14-26(33)15-13-24/h3-15,20,25,27,33-34H,16-19H2,1-2H3,(H2,31,32,37)