(2-oxidanylidene-2-phenylazanyl-ethyl) 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-anilino-2-oxo-ethyl) 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]acrylic acid (2-anilino-2-keto-ethyl) ester Formula: C28H21N3O4 MolecularWeight: 463.48404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C28H21N3O4/c32-26(29-22-10-3-1-4-11-22)19-34-27(33)16-15-21-18-31(23-12-5-2-6-13-23)30-28(21)25-17-20-9-7-8-14-24(20)35-25/h1-18H,19H2,(H,29,32)