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

Systemtic Name: [(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-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 [(2R)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-pyrrolidin-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 [(1R)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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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)N3CCCC3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)O[C@H](C)C(=O)N3CCCC3

InChI

InChI=1S/C21H25N3O3/c1-15-19(16(2)24(22-15)18-9-5-4-6-10-18)11-12-20(25)27-17(3)21(26)23-13-7-8-14-23/h4-6,9-12,17H,7-8,13-14H2,1-3H3/b12-11+/t17-/m1/s1