ethyl 4-[[3-(2-phenoxyethanoyl)-4,5-dihydro-1H-pyrazol-5-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[3-(2-phenoxyethanoyl)-4,5-dihydro-1H-pyrazol-5-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-(2-phenoxyacetyl)-4,5-dihydro-1H-pyrazole-5-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[3-(1-oxo-2-phenoxyethyl)-4,5-dihydro-1H-pyrazol-5-yl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-phenoxyacetyl)-4,5-dihydro-1H-pyrazole-5-carbonyl]amino]benzoate Traditional Name: 4-[[5-(2-phenoxyacetyl)-2-pyrazoline-3-carbonyl]amino]benzoic acid ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=NN2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=NN2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-2-28-21(27)14-8-10-15(11-9-14)22-20(26)18-12-17(23-24-18)19(25)13-29-16-6-4-3-5-7-16/h3-11,18,24H,2,12-13H2,1H3,(H,22,26)