(1,3-diphenylpyrazol-4-yl)methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(5,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)acetic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)acetic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C28H24N2O3 MolecularWeight: 436.50176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H24N2O3/c1-19-13-25-22(17-32-26(25)14-20(19)2)15-27(31)33-18-23-16-30(24-11-7-4-8-12-24)29-28(23)21-9-5-3-6-10-21/h3-14,16-17H,15,18H2,1-2H3