tris[4-(2-benzamidoethanoylamino)phenyl] phosphite

Systemtic Name: tris[4-(2-benzamidoethanoylamino)phenyl] phosphite Openeye Name: tris[4-[(2-benzamidoacetyl)amino]phenyl] phosphite CAS Name: phosphorous acid tris[4-[(2-benzamido-1-oxoethyl)amino]phenyl] ester IUPAC Name: tris[4-[(2-benzamidoacetyl)amino]phenyl] phosphite Traditional Name: phosphorous acid tris[4-(hippuroylamino)phenyl] ester Formula: C45H39N6O9P MolecularWeight: 838.799721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)OP(OC3=CC=C(C=C3)NC(=O)CNC(=O)C4=CC=CC=C4)OC5=CC=C(C=C5)NC(=O)CNC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)OP(OC3=CC=C(C=C3)NC(=O)CNC(=O)C4=CC=CC=C4)OC5=CC=C(C=C5)NC(=O)CNC(=O)C6=CC=CC=C6

InChI

InChI=1S/C45H39N6O9P/c52-40(28-46-43(55)31-10-4-1-5-11-31)49-34-16-22-37(23-17-34)58-61(59-38-24-18-35(19-25-38)50-41(53)29-47-44(56)32-12-6-2-7-13-32)60-39-26-20-36(21-27-39)51-42(54)30-48-45(57)33-14-8-3-9-15-33/h1-27H,28-30H2,(H,46,55)(H,47,56)(H,48,57)(H,49,52)(H,50,53)(H,51,54)