ethyl 4-[4-(4-ethoxy-4-oxidanylidene-butoxy)-3-(3-oxidanylidenebutanoylamino)phenoxy]butanoate

Systemtic Name: ethyl 4-[4-(4-ethoxy-4-oxidanylidene-butoxy)-3-(3-oxidanylidenebutanoylamino)phenoxy]butanoate Openeye Name: ethyl 4-[4-(4-ethoxy-4-oxo-butoxy)-3-(3-oxobutanoylamino)phenoxy]butanoate CAS Name: 4-[3-(1,3-dioxobutylamino)-4-(4-ethoxy-4-oxobutoxy)phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-ethoxy-4-oxobutoxy)-3-(3-oxobutanoylamino)phenoxy]butanoate Traditional Name: 4-[3-(acetoacetylamino)-4-(4-ethoxy-4-keto-butoxy)phenoxy]butyric acid ethyl ester Formula: C22H31NO8 MolecularWeight: 437.48344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC(=C(C=C1)OCCCC(=O)OCC)NC(=O)CC(=O)C

Isomeric SMILES

CCOC(=O)CCCOC1=CC(=C(C=C1)OCCCC(=O)OCC)NC(=O)CC(=O)C

InChI

InChI=1S/C22H31NO8/c1-4-28-21(26)8-6-12-30-17-10-11-19(31-13-7-9-22(27)29-5-2)18(15-17)23-20(25)14-16(3)24/h10-11,15H,4-9,12-14H2,1-3H3,(H,23,25)