(4-pyrazol-1-ylphenyl)methyl 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(4-ethoxyphenyl)-4-oxobutanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-p-phenetyl-butyric acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C22H22N2O4/c1-2-27-20-10-6-18(7-11-20)21(25)12-13-22(26)28-16-17-4-8-19(9-5-17)24-15-3-14-23-24/h3-11,14-15H,2,12-13,16H2,1H3