(4-pyrazol-1-ylphenyl)methyl 3,5-diacetamidobenzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3,5-diacetamidobenzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)NC(=O)C

InChI

InChI=1S/C21H20N4O4/c1-14(26)23-18-10-17(11-19(12-18)24-15(2)27)21(28)29-13-16-4-6-20(7-5-16)25-9-3-8-22-25/h3-12H,13H2,1-2H3,(H,23,26)(H,24,27)