[4-[8-(4-phenylphenyl)octoxymethyl]phenyl] N'-azanylcarbamimidate

Systemtic Name: [4-[8-(4-phenylphenyl)octoxymethyl]phenyl] N'-azanylcarbamimidate Openeye Name: 3-amino-2-[4-[8-(4-phenylphenyl)octoxymethyl]phenyl]isourea CAS Name: N'-aminocarbamimidic acid [4-[8-(4-phenylphenyl)octoxymethyl]phenyl] ester IUPAC Name: [4-[8-(4-phenylphenyl)octoxymethyl]phenyl] N'-aminocarbamimidate Traditional Name: 3-amino-2-[4-[8-(4-phenylphenyl)octoxymethyl]phenyl]isourea Formula: C28H35N3O2 MolecularWeight: 445.5964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CCCCCCCCOCC3=CC=C(C=C3)OC(=NN)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CCCCCCCCOCC3=CC=C(C=C3)O/C(=N\N)/N

InChI

InChI=1S/C28H35N3O2/c29-28(31-30)33-27-19-15-24(16-20-27)22-32-21-9-4-2-1-3-6-10-23-13-17-26(18-14-23)25-11-7-5-8-12-25/h5,7-8,11-20H,1-4,6,9-10,21-22,30H2,(H2,29,31)