(2-phenyl-5-propan-2-yl-pyrazol-3-yl) 4-butylbenzoate

Systemtic Name: (2-phenyl-5-propan-2-yl-pyrazol-3-yl) 4-butylbenzoate Openeye Name: (5-isopropyl-2-phenyl-pyrazol-3-yl) 4-butylbenzoate CAS Name: 4-butylbenzoic acid (2-phenyl-5-propan-2-yl-3-pyrazolyl) ester IUPAC Name: (2-phenyl-5-propan-2-ylpyrazol-3-yl) 4-butylbenzoate Traditional Name: 4-butylbenzoic acid (5-isopropyl-2-phenyl-pyrazol-3-yl) ester Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)C(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C23H26N2O2/c1-4-5-9-18-12-14-19(15-13-18)23(26)27-22-16-21(17(2)3)24-25(22)20-10-7-6-8-11-20/h6-8,10-17H,4-5,9H2,1-3H3