ethyl 2-[1-(2-butoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-3-propan-2-yloxy-azet-2-yl]benzoate

Systemtic Name: ethyl 2-[1-(2-butoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-3-propan-2-yloxy-azet-2-yl]benzoate Openeye Name: ethyl 2-[1-(2-butoxy-2-oxo-ethyl)-3-isopropoxy-4-oxo-azet-2-yl]benzoate CAS Name: 2-[1-(2-butoxy-2-oxoethyl)-4-oxo-3-propan-2-yloxy-2-azetyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-butoxy-2-oxoethyl)-4-oxo-3-propan-2-yloxyazet-2-yl]benzoate Traditional Name: 2-[1-(2-butoxy-2-keto-ethyl)-3-isopropoxy-4-keto-azet-2-yl]benzoic acid ethyl ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C(=C(C1=O)OC(C)C)C2=CC=CC=C2C(=O)OCC

Isomeric SMILES

CCCCOC(=O)CN1C(=C(C1=O)OC(C)C)C2=CC=CC=C2C(=O)OCC

InChI

InChI=1S/C21H27NO6/c1-5-7-12-27-17(23)13-22-18(19(20(22)24)28-14(3)4)15-10-8-9-11-16(15)21(25)26-6-2/h8-11,14H,5-7,12-13H2,1-4H3