[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [(1S)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C24H24FN3O3 MolecularWeight: 421.464063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)F)OC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H24FN3O3/c1-18(24(30)26-14-13-19-7-10-22(25)11-8-19)31-23(29)12-9-21-15-27-28(17-21)16-20-5-3-2-4-6-20/h2-12,15,17-18H,13-14,16H2,1H3,(H,26,30)/b12-9+/t18-/m0/s1