4-[[(E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]benzoate

Systemtic Name: 4-[[(E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acryloyl]amino]benzoate Formula: C26H20N3O4- MolecularWeight: 438.4547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)NC3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)NC3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H21N3O4/c1-33-23-14-9-18(10-15-23)25-20(17-29(28-25)22-5-3-2-4-6-22)11-16-24(30)27-21-12-7-19(8-13-21)26(31)32/h2-17H,1H3,(H,27,30)(H,31,32)/p-1/b16-11+