ethyl 1-methyl-5-[[5-[(4-propylphenoxy)methyl]furan-2-yl]carbonylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-methyl-5-[[5-[(4-propylphenoxy)methyl]furan-2-yl]carbonylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-methyl-5-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-4-carboxylate CAS Name: 1-methyl-5-[[oxo-[5-[(4-propylphenoxy)methyl]-2-furanyl]methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-4-carboxylate Traditional Name: 1-methyl-5-[[5-[(4-propylphenoxy)methyl]-2-furoyl]amino]pyrazole-4-carboxylic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=C(C=NN3C)C(=O)OCC

Isomeric SMILES

CCCC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=C(C=NN3C)C(=O)OCC

InChI

InChI=1S/C22H25N3O5/c1-4-6-15-7-9-16(10-8-15)29-14-17-11-12-19(30-17)21(26)24-20-18(13-23-25(20)3)22(27)28-5-2/h7-13H,4-6,14H2,1-3H3,(H,24,26)