(4-pyrazol-1-ylphenyl)methyl 2,3,4-trimethoxybenzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2,3,4-trimethoxybenzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)OC)OC

InChI

InChI=1S/C20H20N2O5/c1-24-17-10-9-16(18(25-2)19(17)26-3)20(23)27-13-14-5-7-15(8-6-14)22-12-4-11-21-22/h4-12H,13H2,1-3H3