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

Systemtic Name: ethyl 2-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl-oxidanyl-amino]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[hydroxy-[3-[1-(4-methoxyphenyl)-5-(p-tolyl)pyrazol-3-yl]-1-methyl-prop-2-ynyl]amino]-2-oxo-acetate CAS Name: 2-[hydroxy-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)-3-pyrazolyl]but-3-yn-2-yl]amino]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[hydroxy-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]amino]-2-oxoacetate Traditional Name: 2-[hydroxy-[3-[1-(4-methoxyphenyl)-5-(p-tolyl)pyrazol-3-yl]-1-methyl-prop-2-ynyl]amino]-2-keto-acetic acid ethyl ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)N(C(C)C#CC1=NN(C(=C1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CCOC(=O)C(=O)N(C(C)C#CC1=NN(C(=C1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C25H25N3O5/c1-5-33-25(30)24(29)28(31)18(3)8-11-20-16-23(19-9-6-17(2)7-10-19)27(26-20)21-12-14-22(32-4)15-13-21/h6-7,9-10,12-16,18,31H,5H2,1-4H3