3-methylbutyl 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-methylbutyl 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: isopentyl 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid isoamyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3/c1-16(2)13-14-27-22(25)20-15-24(18-7-5-4-6-8-18)23-21(20)17-9-11-19(26-3)12-10-17/h4-12,15-16H,13-14H2,1-3H3