[4-(5-acetyloxy-4-butyl-3-oxidanylidene-2-phenyl-pyrazol-1-yl)phenyl] benzoate

Systemtic Name: [4-(5-acetyloxy-4-butyl-3-oxidanylidene-2-phenyl-pyrazol-1-yl)phenyl] benzoate Openeye Name: [4-(5-acetoxy-4-butyl-3-oxo-2-phenyl-pyrazol-1-yl)phenyl] benzoate CAS Name: benzoic acid [4-(5-acetyloxy-4-butyl-3-oxo-2-phenyl-1-pyrazolyl)phenyl] ester IUPAC Name: [4-(5-acetyloxy-4-butyl-3-oxo-2-phenylpyrazol-1-yl)phenyl] benzoate Traditional Name: benzoic acid [4-(5-acetoxy-4-butyl-3-keto-2-phenyl-3-pyrazolin-1-yl)phenyl] ester Formula: C28H26N2O5 MolecularWeight: 470.51644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C28H26N2O5/c1-3-4-15-25-26(32)29(22-13-9-6-10-14-22)30(27(25)34-20(2)31)23-16-18-24(19-17-23)35-28(33)21-11-7-5-8-12-21/h5-14,16-19H,3-4,15H2,1-2H3