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

Systemtic Name: [(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [(1S)-2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxyphenyl)-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-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4/c1-17(23(27)20-9-11-21(28-2)12-10-20)29-22(26)13-8-19-14-24-25(16-19)15-18-6-4-3-5-7-18/h3-14,16-17H,15H2,1-2H3/b13-8+/t17-/m0/s1