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

Systemtic Name: O6-(5-fluoranyl-2-phenyl-phenyl) O1-(phenylmethyl) 3-(2-methylpropylcarbamoylamino)hexanedioate Openeye Name: O1-benzyl O6-(5-fluoro-2-phenyl-phenyl) 3-(isobutylcarbamoylamino)hexanedioate CAS Name: 3-[[(2-methylpropylamino)-oxomethyl]amino]hexanedioic acid O6-(5-fluoro-2-phenylphenyl) ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 6-O-(5-fluoro-2-phenylphenyl) 3-(2-methylpropylcarbamoylamino)hexanedioate Traditional Name: 3-(isobutylcarbamoylamino)adipic acid O1-benzyl ester O6-(5-fluoro-2-phenyl-phenyl) ester Formula: C30H33FN2O5 MolecularWeight: 520.591823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33FN2O5/c1-21(2)19-32-30(36)33-25(18-29(35)37-20-22-9-5-3-6-10-22)14-16-28(34)38-27-17-24(31)13-15-26(27)23-11-7-4-8-12-23/h3-13,15,17,21,25H,14,16,18-20H2,1-2H3,(H2,32,33,36)