phenethyl 4-[5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]furan-2-yl]benzoate

Systemtic Name: phenethyl 4-[5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]furan-2-yl]benzoate Openeye Name: phenethyl 4-[5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2-furyl]benzoate CAS Name: 4-[5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-2-furanyl]benzoic acid phenethyl ester IUPAC Name: phenethyl 4-[5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]-2-furyl]benzoic acid phenethyl ester Formula: C31H27N3O4 MolecularWeight: 505.56378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C31H27N3O4/c1-22-29(30(35)34(33(22)2)26-11-7-4-8-12-26)32-21-27-17-18-28(38-27)24-13-15-25(16-14-24)31(36)37-20-19-23-9-5-3-6-10-23/h3-18,21H,19-20H2,1-2H3