ethyl 5-[[[1-(3-phenylpropyl)-1,2,3-triazol-4-yl]carbonylamino]methyl]furan-2-carboxylate

Systemtic Name: ethyl 5-[[[1-(3-phenylpropyl)-1,2,3-triazol-4-yl]carbonylamino]methyl]furan-2-carboxylate Openeye Name: ethyl 5-[[[1-(3-phenylpropyl)triazole-4-carbonyl]amino]methyl]furan-2-carboxylate CAS Name: 5-[[[oxo-[1-(3-phenylpropyl)-4-triazolyl]methyl]amino]methyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[[1-(3-phenylpropyl)triazole-4-carbonyl]amino]methyl]furan-2-carboxylate Traditional Name: 5-[[[1-(3-phenylpropyl)triazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid ethyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CNC(=O)C2=CN(N=N2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CNC(=O)C2=CN(N=N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O4/c1-2-27-20(26)18-11-10-16(28-18)13-21-19(25)17-14-24(23-22-17)12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,14H,2,6,9,12-13H2,1H3,(H,21,25)