[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid [(1R)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OC(C)C(=O)N2CCCCC2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O[C@H](C)C(=O)N2CCCCC2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H26ClN3O3/c1-16-19(21(23)26(24-16)15-18-9-5-3-6-10-18)11-12-20(27)29-17(2)22(28)25-13-7-4-8-14-25/h3,5-6,9-12,17H,4,7-8,13-15H2,1-2H3/b12-11+/t17-/m1/s1