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

Systemtic Name: [4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-phenyl] 4-methylbenzoate Openeye Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-2-ethoxy-phenyl] ester Formula: C37H34N4O5 MolecularWeight: 614.68966

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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

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

InChI

InChI=1S/C37H34N4O5/c1-5-45-31-22-27(20-21-30(31)46-37(44)26-18-16-23(2)17-19-26)34(32-24(3)38-40(35(32)42)28-12-8-6-9-13-28)33-25(4)39-41(36(33)43)29-14-10-7-11-15-29/h6-22,34,38-39H,5H2,1-4H3