N,N'-bis[2-(5-methyl-3-naphthalen-1-yl-2-phenylmethoxy-phenyl)phenyl]butane-1,4-diamine

Systemtic Name: N,N'-bis[2-(5-methyl-3-naphthalen-1-yl-2-phenylmethoxy-phenyl)phenyl]butane-1,4-diamine Openeye Name: N,N'-bis[2-[2-benzyloxy-5-methyl-3-(1-naphthyl)phenyl]phenyl]butane-1,4-diamine CAS Name: N,N'-bis[2-[5-methyl-3-(1-naphthalenyl)-2-phenylmethoxyphenyl]phenyl]butane-1,4-diamine IUPAC Name: N,N'-bis[2-(5-methyl-3-naphthalen-1-yl-2-phenylmethoxyphenyl)phenyl]butane-1,4-diamine Traditional Name: 4-[2-[2-benzoxy-5-methyl-3-(1-naphthyl)phenyl]anilino]butyl-[2-[2-benzoxy-5-methyl-3-(1-naphthyl)phenyl]phenyl]amine Formula: C64H56N2O2 MolecularWeight: 885.14164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=CC=CC3=CC=CC=C32)OCC4=CC=CC=C4)C5=CC=CC=C5NCCCCNC6=CC=CC=C6C7=C(C(=CC(=C7)C)C8=CC=CC9=CC=CC=C98)OCC1=CC=CC=C1

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=CC=CC3=CC=CC=C32)OCC4=CC=CC=C4)C5=CC=CC=C5NCCCCNC6=CC=CC=C6C7=C(C(=CC(=C7)C)C8=CC=CC9=CC=CC=C98)OCC1=CC=CC=C1

InChI

InChI=1S/C64H56N2O2/c1-45-39-57(53-33-19-27-49-25-9-11-29-51(49)53)63(67-43-47-21-5-3-6-22-47)59(41-45)55-31-13-15-35-61(55)65-37-17-18-38-66-62-36-16-14-32-56(62)60-42-46(2)40-58(64(60)68-44-48-23-7-4-8-24-48)54-34-20-28-50-26-10-12-30-52(50)54/h3-16,19-36,39-42,65-66H,17-18,37-38,43-44H2,1-2H3