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

Systemtic Name: [4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-phenyl] 3-methoxybenzoate Openeye Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-phenyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic 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] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-2-ethoxy-phenyl] ester Formula: C37H34N4O6 MolecularWeight: 630.68906

Click to see the large picture

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(=CC=C6)OC

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(=CC=C6)OC

InChI

InChI=1S/C37H34N4O6/c1-5-46-31-22-25(19-20-30(31)47-37(44)26-13-12-18-29(21-26)45-4)34(32-23(2)38-40(35(32)42)27-14-8-6-9-15-27)33-24(3)39-41(36(33)43)28-16-10-7-11-17-28/h6-22,34,38-39H,5H2,1-4H3