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

Systemtic Name: ethyl 4-[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-isopropoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]-4-oxo-butanoate CAS Name: 4-[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-4-oxobutanoate Traditional Name: 4-[3-isopropoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]-4-keto-butyric acid ethyl ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5/c1-5-25-16(23)10-9-15(22)21-17(19-18(20-21)26-12(2)3)13-7-6-8-14(11-13)24-4/h6-8,11-12H,5,9-10H2,1-4H3