[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propenoic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C18H28ClN3O3 MolecularWeight: 369.88622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)NC(C)CCCC(C)C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC(C)CCCC(C)C)Cl)C

InChI

InChI=1S/C18H28ClN3O3/c1-12(2)7-6-8-13(3)20-16(23)11-25-17(24)10-9-15-14(4)21-22(5)18(15)19/h9-10,12-13H,6-8,11H2,1-5H3,(H,20,23)/b10-9+