(E)-2-benzamido-3-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2/C=C(\C(=O)O)/NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H21N3O4/c1-33-22-14-8-11-19(15-22)24-20(17-29(28-24)21-12-6-3-7-13-21)16-23(26(31)32)27-25(30)18-9-4-2-5-10-18/h2-17H,1H3,(H,27,30)(H,31,32)/b23-16+