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

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(4-methyl-1-piperidyl)-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-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-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-keto-2-(4-methylpiperidino)ethyl] ester Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)C=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O4/c1-20-13-15-30(16-14-20)26(32)19-34-27(33)12-11-22-18-31(23-8-3-2-4-9-23)29-28(22)25-17-21-7-5-6-10-24(21)35-25/h2-12,17-18,20H,13-16,19H2,1H3