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

Systemtic Name: ethyl 5-[2-[2-(4-tert-butylphenyl)-4-oxidanylidene-chromen-3-yl]oxybutanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-[2-(4-tert-butylphenyl)-4-oxo-chromen-3-yl]oxybutanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[[2-(4-tert-butylphenyl)-4-oxo-1-benzopyran-3-yl]oxy]-1-oxobutyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[2-(4-tert-butylphenyl)-4-oxochromen-3-yl]oxybutanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-[2-(4-tert-butylphenyl)-4-keto-chromen-3-yl]oxybutanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C35H35N3O6 MolecularWeight: 593.6689

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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=C(C=C5)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C35H35N3O6/c1-6-27(33(40)37-32-26(34(41)42-7-2)21-36-38(32)24-13-9-8-10-14-24)43-31-29(39)25-15-11-12-16-28(25)44-30(31)22-17-19-23(20-18-22)35(3,4)5/h8-21,27H,6-7H2,1-5H3,(H,37,40)