(2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-3-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-3-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] (E)-3-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) (E)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]acrylic acid (2-keto-2-piperidino-ethyl) ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C=CC(=O)OCC(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2/C=C/C(=O)OCC(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4/c1-18-10-12-21(31-18)24-19(16-27(25-24)20-8-4-2-5-9-20)11-13-23(29)30-17-22(28)26-14-6-3-7-15-26/h2,4-5,8-13,16H,3,6-7,14-15,17H2,1H3/b13-11+