[4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-phenyl] 4-tert-butylbenzoate

Systemtic Name: [4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-phenyl] 4-tert-butylbenzoate Openeye Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-2-ethoxy-phenyl] ester Formula: C40H40N4O5 MolecularWeight: 656.7694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(NN(C2=O)C3=CC=CC=C3)C)C4=C(NN(C4=O)C5=CC=CC=C5)C)OC(=O)C6=CC=C(C=C6)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(NN(C2=O)C3=CC=CC=C3)C)C4=C(NN(C4=O)C5=CC=CC=C5)C)OC(=O)C6=CC=C(C=C6)C(C)(C)C

InChI

InChI=1S/C40H40N4O5/c1-7-48-33-24-28(20-23-32(33)49-39(47)27-18-21-29(22-19-27)40(4,5)6)36(34-25(2)41-43(37(34)45)30-14-10-8-11-15-30)35-26(3)42-44(38(35)46)31-16-12-9-13-17-31/h8-24,36,41-42H,7H2,1-6H3