O1-(2-hydroxyethyl) O3-(phenylmethyl) 2-[(2-methylpropylcarbamoylamino)-(4-phenylphenyl)methyl]propanedioate

Systemtic Name: O1-(2-hydroxyethyl) O3-(phenylmethyl) 2-[(2-methylpropylcarbamoylamino)-(4-phenylphenyl)methyl]propanedioate Openeye Name: O1-benzyl O3-(2-hydroxyethyl) 2-[(isobutylcarbamoylamino)-(4-phenylphenyl)methyl]propanedioate CAS Name: 2-[[[(2-methylpropylamino)-oxomethyl]amino]-(4-phenylphenyl)methyl]propanedioic acid O1-(2-hydroxyethyl) ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O-(2-hydroxyethyl) 2-[(2-methylpropylcarbamoylamino)-(4-phenylphenyl)methyl]propanedioate Traditional Name: 2-[(isobutylcarbamoylamino)-(4-phenylphenyl)methyl]malonic acid O1-benzyl ester O3-(2-hydroxyethyl) ester Formula: C30H34N2O6 MolecularWeight: 518.60076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(C1=CC=C(C=C1)C2=CC=CC=C2)C(C(=O)OCCO)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)NC(C1=CC=C(C=C1)C2=CC=CC=C2)C(C(=O)OCCO)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H34N2O6/c1-21(2)19-31-30(36)32-27(25-15-13-24(14-16-25)23-11-7-4-8-12-23)26(28(34)37-18-17-33)29(35)38-20-22-9-5-3-6-10-22/h3-16,21,26-27,33H,17-20H2,1-2H3,(H2,31,32,36)