ethyl 4-[4-[5-(4-ethylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]but-3-yn-2-yl-oxidanyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-[5-(4-ethylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]but-3-yn-2-yl-oxidanyl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-[5-(4-ethylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-1-methyl-prop-2-ynyl]-hydroxy-amino]-4-oxo-butanoate CAS Name: 4-[4-[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-3-pyrazolyl]but-3-yn-2-yl-hydroxyamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[5-(4-ethylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]but-3-yn-2-yl-hydroxyamino]-4-oxobutanoate Traditional Name: 4-[[3-[5-(4-ethylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-1-methyl-prop-2-ynyl]-hydroxy-amino]-4-keto-butyric acid ethyl ester Formula: C28H31N3O5 MolecularWeight: 489.56284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)OC)C#CC(C)N(C(=O)CCC(=O)OCC)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)OC)C#CC(C)N(C(=O)CCC(=O)OCC)O

InChI

InChI=1S/C28H31N3O5/c1-5-21-8-10-22(11-9-21)26-19-23(29-30(26)24-13-15-25(35-4)16-14-24)12-7-20(3)31(34)27(32)17-18-28(33)36-6-2/h8-11,13-16,19-20,34H,5-6,17-18H2,1-4H3