[(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [(1S)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [(1S)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)C=CC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)[C@H](C2=CC=CC=C2)OC(=O)/C=C/C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3/c29-23(14-13-21-17-26-28(19-21)18-20-9-3-1-4-10-20)31-24(22-11-5-2-6-12-22)25(30)27-15-7-8-16-27/h1-6,9-14,17,19,24H,7-8,15-16,18H2/b14-13+/t24-/m0/s1