[(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [(2S)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [(1S)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OC(C)C(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)O[C@@H](C)C(=O)N3CCCCC3

InChI

InChI=1S/C22H27N3O3/c1-16-20(17(2)25(23-16)19-10-6-4-7-11-19)12-13-21(26)28-18(3)22(27)24-14-8-5-9-15-24/h4,6-7,10-13,18H,5,8-9,14-15H2,1-3H3/b13-12+/t18-/m0/s1