[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 4-butoxybenzoate

Systemtic Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 4-butoxybenzoate Openeye Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-(4-methoxyphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methoxyphenyl)-5-phenylpyrazol-3-yl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4/c1-3-4-18-32-24-14-10-21(11-15-24)27(30)33-26-19-25(20-8-6-5-7-9-20)28-29(26)22-12-16-23(31-2)17-13-22/h5-17,19H,3-4,18H2,1-2H3