ethyl 5-[2-[2-(2-chlorophenyl)-4-oxidanylidene-chromen-3-yl]oxybutanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-[2-(2-chlorophenyl)-4-oxidanylidene-chromen-3-yl]oxybutanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-[2-(2-chlorophenyl)-4-oxo-chromen-3-yl]oxybutanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[[2-(2-chlorophenyl)-4-oxo-1-benzopyran-3-yl]oxy]-1-oxobutyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[2-(2-chlorophenyl)-4-oxochromen-3-yl]oxybutanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-[2-(2-chlorophenyl)-4-keto-chromen-3-yl]oxybutanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C31H26ClN3O6 MolecularWeight: 572.00764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)OC3=C(OC4=CC=CC=C4C3=O)C5=CC=CC=C5Cl

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)OC3=C(OC4=CC=CC=C4C3=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C31H26ClN3O6/c1-3-24(30(37)34-29-22(31(38)39-4-2)18-33-35(29)19-12-6-5-7-13-19)40-28-26(36)21-15-9-11-17-25(21)41-27(28)20-14-8-10-16-23(20)32/h5-18,24H,3-4H2,1-2H3,(H,34,37)