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

Systemtic Name: ethyl 4-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl-oxidanyl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[hydroxy-[3-[1-(4-methoxyphenyl)-5-(p-tolyl)pyrazol-3-yl]-1-methyl-prop-2-ynyl]amino]-4-oxo-butanoate CAS Name: 4-[hydroxy-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)-3-pyrazolyl]but-3-yn-2-yl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[hydroxy-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[hydroxy-[3-[1-(4-methoxyphenyl)-5-(p-tolyl)pyrazol-3-yl]-1-methyl-prop-2-ynyl]amino]-4-keto-butyric acid ethyl ester Formula: C27H29N3O5 MolecularWeight: 475.53626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=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)CCC(=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/C27H29N3O5/c1-5-35-27(32)17-16-26(31)30(33)20(3)8-11-22-18-25(21-9-6-19(2)7-10-21)29(28-22)23-12-14-24(34-4)15-13-23/h6-7,9-10,12-15,18,20,33H,5,16-17H2,1-4H3