methyl (2Z)-3-oxidanylidene-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-5-carboxylate

Systemtic Name: methyl (2Z)-3-oxidanylidene-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-5-carboxylate Openeye Name: methyl (2Z)-3-oxo-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylene]benzofuran-5-carboxylate CAS Name: (2Z)-3-oxo-2-[[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]methylidene]-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2Z)-3-oxo-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-5-carboxylate Traditional Name: (2Z)-3-keto-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylene]coumaran-5-carboxylic acid methyl ester Formula: C29H24N2O5 MolecularWeight: 480.51126

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C29H24N2O5/c1-3-15-35-23-12-9-19(10-13-23)27-21(18-31(30-27)22-7-5-4-6-8-22)17-26-28(32)24-16-20(29(33)34-2)11-14-25(24)36-26/h4-14,16-18H,3,15H2,1-2H3/b26-17-