ethyl 2-[3-methyl-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-methyl-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-(4-benzyloxyphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetate CAS Name: 2-[3-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[4-(4-benzoxyphenyl)-5-keto-3-methyl-1,2,4-triazol-1-yl]acetic acid ethyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N(C(=N1)C)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C(=O)N(C(=N1)C)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4/c1-3-26-19(24)13-22-20(25)23(15(2)21-22)17-9-11-18(12-10-17)27-14-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3