[4-[[5-(furan-2-ylmethylamino)-5-oxidanylidene-pentanoyl]amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[[5-(furan-2-ylmethylamino)-5-oxidanylidene-pentanoyl]amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[[5-(2-furylmethylamino)-5-oxo-pentanoyl]amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[5-(2-furanylmethylamino)-1,5-dioxopentyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[[5-(furan-2-ylmethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[[5-(2-furfurylamino)-5-keto-pentanoyl]amino]pyrazol-1-yl]methyl ester Formula: C19H26N4O5 MolecularWeight: 390.43354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)CCCC(=O)NCC2=CC=CO2

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)CCCC(=O)NCC2=CC=CO2

InChI

InChI=1S/C19H26N4O5/c1-19(2,3)18(26)28-13-23-12-14(10-21-23)22-17(25)8-4-7-16(24)20-11-15-6-5-9-27-15/h5-6,9-10,12H,4,7-8,11,13H2,1-3H3,(H,20,24)(H,22,25)