O6-(5-methoxy-2-phenyl-phenyl) O1-(phenylmethyl) 3-(2-methylpropylcarbamoylamino)hexanedioate

Systemtic Name: O6-(5-methoxy-2-phenyl-phenyl) O1-(phenylmethyl) 3-(2-methylpropylcarbamoylamino)hexanedioate Openeye Name: O1-benzyl O6-(5-methoxy-2-phenyl-phenyl) 3-(isobutylcarbamoylamino)hexanedioate CAS Name: 3-[[(2-methylpropylamino)-oxomethyl]amino]hexanedioic acid O6-(5-methoxy-2-phenylphenyl) ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 6-O-(5-methoxy-2-phenylphenyl) 3-(2-methylpropylcarbamoylamino)hexanedioate Traditional Name: 3-(isobutylcarbamoylamino)adipic acid O1-benzyl ester O6-(5-methoxy-2-phenyl-phenyl) ester Formula: C31H36N2O6 MolecularWeight: 532.62734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CCC(=O)OC1=C(C=CC(=C1)OC)C2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)NC(CCC(=O)OC1=C(C=CC(=C1)OC)C2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

InChI

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