ethyl 5-methyl-1-[4-(2-phenoxyethanoylamino)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-(2-phenoxyethanoylamino)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[(2-phenoxyacetyl)amino]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[(2-phenoxyacetyl)amino]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[(2-phenoxyacetyl)amino]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O4/c1-3-27-21(26)19-13-22-24(15(19)2)17-11-9-16(10-12-17)23-20(25)14-28-18-7-5-4-6-8-18/h4-13H,3,14H2,1-2H3,(H,23,25)