methyl 1-methyl-5-(4-octoxyphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 1-methyl-5-(4-octoxyphenyl)pyrazole-3-carboxylate Openeye Name: methyl 1-methyl-5-(4-octoxyphenyl)pyrazole-3-carboxylate CAS Name: 1-methyl-5-(4-octoxyphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-5-(4-octoxyphenyl)pyrazole-3-carboxylate Traditional Name: 1-methyl-5-(4-octoxyphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C20H28N2O3 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NN2C)C(=O)OC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NN2C)C(=O)OC

InChI

InChI=1S/C20H28N2O3/c1-4-5-6-7-8-9-14-25-17-12-10-16(11-13-17)19-15-18(20(23)24-3)21-22(19)2/h10-13,15H,4-9,14H2,1-3H3