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

Systemtic Name: methyl (2Z)-2-[[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate Openeye Name: methyl (2Z)-2-[[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-oxo-benzofuran-5-carboxylate CAS Name: (2Z)-2-[[3-(2-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-oxo-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-[[3-(2-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-1-benzofuran-5-carboxylate Traditional Name: (2Z)-3-keto-2-[[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]coumaran-5-carboxylic acid methyl ester Formula: C30H26N2O5 MolecularWeight: 494.53784

Click to see the large picture

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)C

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)C

InChI

InChI=1S/C30H26N2O5/c1-4-14-36-23-11-12-24(19(2)15-23)28-21(18-32(31-28)22-8-6-5-7-9-22)17-27-29(33)25-16-20(30(34)35-3)10-13-26(25)37-27/h5-13,15-18H,4,14H2,1-3H3/b27-17-