ethyl 4-oxidanylidene-4-(5-phenyl-3-propan-2-yloxy-1,2,4-triazol-1-yl)butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-(5-phenyl-3-propan-2-yloxy-1,2,4-triazol-1-yl)butanoate Openeye Name: ethyl 4-(3-isopropoxy-5-phenyl-1,2,4-triazol-1-yl)-4-oxo-butanoate CAS Name: 4-oxo-4-(5-phenyl-3-propan-2-yloxy-1,2,4-triazol-1-yl)butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-(5-phenyl-3-propan-2-yloxy-1,2,4-triazol-1-yl)butanoate Traditional Name: 4-(3-isopropoxy-5-phenyl-1,2,4-triazol-1-yl)-4-keto-butyric acid ethyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1C(=NC(=N1)OC(C)C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC(=O)N1C(=NC(=N1)OC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O4/c1-4-23-15(22)11-10-14(21)20-16(13-8-6-5-7-9-13)18-17(19-20)24-12(2)3/h5-9,12H,4,10-11H2,1-3H3