(4-pyrazol-1-ylphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H18N2O4/c1-25-14-18-17-5-2-3-6-19(17)27-20(18)21(24)26-13-15-7-9-16(10-8-15)23-12-4-11-22-23/h2-12H,13-14H2,1H3