3-(4-tert-butylphenoxy)propyl 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-(4-tert-butylphenoxy)propyl 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 3-(4-tert-butylphenoxy)propyl 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid 3-(4-tert-butylphenoxy)propyl ester IUPAC Name: 3-(4-tert-butylphenoxy)propyl 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid 3-(4-tert-butylphenoxy)propyl ester Formula: C30H32N2O3 MolecularWeight: 468.58668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCCCOC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCCCOC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C30H32N2O3/c1-22-11-13-23(14-12-22)28-27(21-32(31-28)25-9-6-5-7-10-25)29(33)35-20-8-19-34-26-17-15-24(16-18-26)30(2,3)4/h5-7,9-18,21H,8,19-20H2,1-4H3