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

Systemtic Name: [(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [(1R)-2-(isopropylcarbamoylamino)-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-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-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-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H27ClN4O4 MolecularWeight: 398.88438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN4O4/c1-6-7-10-23-16(19)14(12(4)22-23)8-9-15(24)27-13(5)17(25)21-18(26)20-11(2)3/h8-9,11,13H,6-7,10H2,1-5H3,(H2,20,21,25,26)/b9-8+/t13-/m1/s1