[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)OCC(=O)NCC2=CC=CO2

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)OCC(=O)NCC2=CC=CO2

InChI

InChI=1S/C16H21N3O4/c1-11-14(12(2)19(3)18-11)6-7-16(21)23-10-15(20)17-9-13-5-4-8-22-13/h4-5,8H,6-7,9-10H2,1-3H3,(H,17,20)