methyl 3,5-bis[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]benzoate

Systemtic Name: methyl 3,5-bis[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]benzoate Openeye Name: methyl 3,5-bis[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]benzoate CAS Name: 3,5-bis[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 3,5-bis[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]benzoate Traditional Name: 3,5-bis[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzyl]oxy]benzoic acid methyl ester Formula: C46H44N4O6 MolecularWeight: 748.86476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)COC4=CC(=CC(=C4)C(=O)OC)OCC5=CC=C(C=C5)C6=NN=C(O6)C7=CC=C(C=C7)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)COC4=CC(=CC(=C4)C(=O)OC)OCC5=CC=C(C=C5)C6=NN=C(O6)C7=CC=C(C=C7)C(C)(C)C

InChI

InChI=1S/C46H44N4O6/c1-45(2,3)36-20-16-33(17-21-36)42-49-47-40(55-42)31-12-8-29(9-13-31)27-53-38-24-35(44(51)52-7)25-39(26-38)54-28-30-10-14-32(15-11-30)41-48-50-43(56-41)34-18-22-37(23-19-34)46(4,5)6/h8-26H,27-28H2,1-7H3