[(1S)-2-oxidanylidenecyclohexyl] (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [(1S)-2-oxocyclohexyl] (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid [(1S)-2-ketocyclohexyl] ester Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OC2CCCCC2=O)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O[C@H]2CCCCC2=O)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H21ClN2O3/c1-14-16(11-12-19(25)26-18-10-6-5-9-17(18)24)20(21)23(22-14)13-15-7-3-2-4-8-15/h2-4,7-8,11-12,18H,5-6,9-10,13H2,1H3/b12-11+/t18-/m0/s1