(4-pyrazol-1-ylphenyl)methyl 3,4-diethoxybenzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3,4-diethoxybenzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)OCC

InChI

InChI=1S/C21H22N2O4/c1-3-25-19-11-8-17(14-20(19)26-4-2)21(24)27-15-16-6-9-18(10-7-16)23-13-5-12-22-23/h5-14H,3-4,15H2,1-2H3