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

Systemtic Name: O6-(5-methyl-2-phenyl-phenyl) O1-(phenylmethyl) 3-(2-methylpropylcarbamoylamino)hexanedioate Openeye Name: O1-benzyl O6-(5-methyl-2-phenyl-phenyl) 3-(isobutylcarbamoylamino)hexanedioate CAS Name: 3-[[(2-methylpropylamino)-oxomethyl]amino]hexanedioic acid O6-(5-methyl-2-phenylphenyl) ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 6-O-(5-methyl-2-phenylphenyl) 3-(2-methylpropylcarbamoylamino)hexanedioate Traditional Name: 3-(isobutylcarbamoylamino)adipic acid O1-benzyl ester O6-(5-methyl-2-phenyl-phenyl) ester Formula: C31H36N2O5 MolecularWeight: 516.62794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=CC=C2)OC(=O)CCC(CC(=O)OCC3=CC=CC=C3)NC(=O)NCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=CC=C2)OC(=O)CCC(CC(=O)OCC3=CC=CC=C3)NC(=O)NCC(C)C

InChI

InChI=1S/C31H36N2O5/c1-22(2)20-32-31(36)33-26(19-30(35)37-21-24-10-6-4-7-11-24)15-17-29(34)38-28-18-23(3)14-16-27(28)25-12-8-5-9-13-25/h4-14,16,18,22,26H,15,17,19-21H2,1-3H3,(H2,32,33,36)