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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [(1S)-2-oxocyclohexyl] (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acrylic acid [(1S)-2-ketocyclohexyl] ester Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3/c28-22-13-7-8-14-23(22)30-24(29)16-15-21-18-27(17-19-9-3-1-4-10-19)26-25(21)20-11-5-2-6-12-20/h1-6,9-12,15-16,18,23H,7-8,13-14,17H2/b16-15+/t23-/m0/s1