[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl (E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl (E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]acrylic acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C27H22N4O5 MolecularWeight: 482.48738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)COC(=O)C=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)COC(=O)/C=C/C2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O5/c1-29-21(15-24(32)30(2)27(29)34)17-35-25(33)13-12-19-16-31(20-9-4-3-5-10-20)28-26(19)23-14-18-8-6-7-11-22(18)36-23/h3-16H,17H2,1-2H3/b13-12+