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

Systemtic Name: O6-(5-nitro-2-phenyl-phenyl) O1-(phenylmethyl) 3-(2-methylpropylcarbamoylamino)hexanedioate Openeye Name: O1-benzyl O6-(5-nitro-2-phenyl-phenyl) 3-(isobutylcarbamoylamino)hexanedioate CAS Name: 3-[[(2-methylpropylamino)-oxomethyl]amino]hexanedioic acid O6-(5-nitro-2-phenylphenyl) ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 6-O-(5-nitro-2-phenylphenyl) 3-(2-methylpropylcarbamoylamino)hexanedioate Traditional Name: 3-(isobutylcarbamoylamino)adipic acid O1-benzyl ester O6-(5-nitro-2-phenyl-phenyl) ester Formula: C30H33N3O7 MolecularWeight: 547.59892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CCC(=O)OC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)NC(CCC(=O)OC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H33N3O7/c1-21(2)19-31-30(36)32-24(17-29(35)39-20-22-9-5-3-6-10-22)13-16-28(34)40-27-18-25(33(37)38)14-15-26(27)23-11-7-4-8-12-23/h3-12,14-15,18,21,24H,13,16-17,19-20H2,1-2H3,(H2,31,32,36)