[2-phenyl-4-[1-(phenylcarbonyl)pyrazol-3-yl]-1,3-dioxan-5-yl] benzoate

Systemtic Name: [2-phenyl-4-[1-(phenylcarbonyl)pyrazol-3-yl]-1,3-dioxan-5-yl] benzoate Openeye Name: [4-(1-benzoylpyrazol-3-yl)-2-phenyl-1,3-dioxan-5-yl] benzoate CAS Name: benzoic acid [4-(1-benzoyl-3-pyrazolyl)-2-phenyl-1,3-dioxan-5-yl] ester IUPAC Name: [4-(1-benzoylpyrazol-3-yl)-2-phenyl-1,3-dioxan-5-yl] benzoate Traditional Name: benzoic acid [4-(1-benzoylpyrazol-3-yl)-2-phenyl-1,3-dioxan-5-yl] ester Formula: C27H22N2O5 MolecularWeight: 454.47398

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC(O1)C2=CC=CC=C2)C3=NN(C=C3)C(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C(C(OC(O1)C2=CC=CC=C2)C3=NN(C=C3)C(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H22N2O5/c30-25(19-10-4-1-5-11-19)29-17-16-22(28-29)24-23(33-26(31)20-12-6-2-7-13-20)18-32-27(34-24)21-14-8-3-9-15-21/h1-17,23-24,27H,18H2