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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)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-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-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-(propylamino)ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C=CC1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)/C=C/C1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C20H25N3O3/c1-5-13-21-20(25)16(4)26-19(24)12-11-18-14(2)22-23(15(18)3)17-9-7-6-8-10-17/h6-12,16H,5,13H2,1-4H3,(H,21,25)/b12-11+/t16-/m0/s1