(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C28H25N3O5 MolecularWeight: 483.5152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)OC(C3=CC=CC=C3)C(=O)N)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)OC(C3=CC=CC=C3)C(=O)N)C4=CC=CC=C4)OC

InChI

InChI=1S/C28H25N3O5/c1-34-23-15-13-20(17-24(23)35-2)26-21(18-31(30-26)22-11-7-4-8-12-22)14-16-25(32)36-27(28(29)33)19-9-5-3-6-10-19/h3-18,27H,1-2H3,(H2,29,33)/b16-14+