(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-(4-propanoylphenoxy)ethanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-(4-propanoylphenoxy)ethanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-(4-propanoylphenoxy)acetate CAS Name: 2-[4-(1-oxopropyl)phenoxy]acetic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-(4-propanoylphenoxy)acetate Traditional Name: 2-(4-propionylphenoxy)acetic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H21ClN2O4/c1-3-20(26)16-9-11-18(12-10-16)28-14-21(27)29-13-19-15(2)24-25(22(19)23)17-7-5-4-6-8-17/h4-12H,3,13-14H2,1-2H3