ethyl 1-(3-methylphenyl)-5-[3-(2-phenoxyethanoylamino)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(3-methylphenyl)-5-[3-(2-phenoxyethanoylamino)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-(m-tolyl)-5-[3-[(2-phenoxyacetyl)amino]phenyl]pyrazole-3-carboxylate CAS Name: 1-(3-methylphenyl)-5-[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylphenyl)-5-[3-[(2-phenoxyacetyl)amino]phenyl]pyrazole-3-carboxylate Traditional Name: 1-(m-tolyl)-5-[3-[(2-phenoxyacetyl)amino]phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C27H25N3O4 MolecularWeight: 455.5051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC(=CC=C2)NC(=O)COC3=CC=CC=C3)C4=CC=CC(=C4)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC(=CC=C2)NC(=O)COC3=CC=CC=C3)C4=CC=CC(=C4)C

InChI

InChI=1S/C27H25N3O4/c1-3-33-27(32)24-17-25(30(29-24)22-12-7-9-19(2)15-22)20-10-8-11-21(16-20)28-26(31)18-34-23-13-5-4-6-14-23/h4-17H,3,18H2,1-2H3,(H,28,31)