[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propenoic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1,3,5-trimethylpyrazol-4-yl)acrylic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C22H27N3O3/c1-16-19(17(2)24(3)23-16)12-13-20(26)28-21(18-10-6-4-7-11-18)22(27)25-14-8-5-9-15-25/h4,6-7,10-13,21H,5,8-9,14-15H2,1-3H3/b13-12+/t21-/m1/s1