6-(4-phenylphenoxy)hexyl 5-azanyl-2-[4-azanyl-2-[6-(4-phenylphenoxy)hexoxycarbonyl]phenyl]benzoate

Systemtic Name: 6-(4-phenylphenoxy)hexyl 5-azanyl-2-[4-azanyl-2-[6-(4-phenylphenoxy)hexoxycarbonyl]phenyl]benzoate Openeye Name: 6-(4-phenylphenoxy)hexyl 5-amino-2-[4-amino-2-[6-(4-phenylphenoxy)hexoxycarbonyl]phenyl]benzoate CAS Name: 5-amino-2-[4-amino-2-[oxo-[6-(4-phenylphenoxy)hexoxy]methyl]phenyl]benzoic acid 6-(4-phenylphenoxy)hexyl ester IUPAC Name: 6-(4-phenylphenoxy)hexyl 5-amino-2-[4-amino-2-[6-(4-phenylphenoxy)hexoxycarbonyl]phenyl]benzoate Traditional Name: 5-amino-2-[4-amino-2-[6-(4-phenylphenoxy)hexoxycarbonyl]phenyl]benzoic acid 6-(4-phenylphenoxy)hexyl ester Formula: C50H52N2O6 MolecularWeight: 776.95768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCOC(=O)C3=C(C=CC(=C3)N)C4=C(C=C(C=C4)N)C(=O)OCCCCCCOC5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCOC(=O)C3=C(C=CC(=C3)N)C4=C(C=C(C=C4)N)C(=O)OCCCCCCOC5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C50H52N2O6/c51-41-23-29-45(47(35-41)49(53)57-33-13-3-1-11-31-55-43-25-19-39(20-26-43)37-15-7-5-8-16-37)46-30-24-42(52)36-48(46)50(54)58-34-14-4-2-12-32-56-44-27-21-40(22-28-44)38-17-9-6-10-18-38/h5-10,15-30,35-36H,1-4,11-14,31-34,51-52H2