(1,3-diphenylpyrazol-4-yl)methyl 3,4,5-triethoxybenzoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 3,4,5-triethoxybenzoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C29H30N2O5 MolecularWeight: 486.5589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O5/c1-4-33-25-17-22(18-26(34-5-2)28(25)35-6-3)29(32)36-20-23-19-31(24-15-11-8-12-16-24)30-27(23)21-13-9-7-10-14-21/h7-19H,4-6,20H2,1-3H3