[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propenoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1,3,5-trimethylpyrazol-4-yl)acrylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C16H25N3O3 MolecularWeight: 307.388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)OCC(=O)NCCC(C)C

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)OCC(=O)NCCC(C)C

InChI

InChI=1S/C16H25N3O3/c1-11(2)8-9-17-15(20)10-22-16(21)7-6-14-12(3)18-19(5)13(14)4/h6-7,11H,8-10H2,1-5H3,(H,17,20)/b7-6+