[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-2-propenoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H24ClN3O3 MolecularWeight: 353.84376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)OC(C)C(=O)NC2CC2)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)O[C@H](C)C(=O)NC2CC2)Cl

InChI

InChI=1S/C17H24ClN3O3/c1-4-5-10-21-16(18)14(11(2)20-21)8-9-15(22)24-12(3)17(23)19-13-6-7-13/h8-9,12-13H,4-7,10H2,1-3H3,(H,19,23)/b9-8+/t12-/m1/s1