[2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate

Systemtic Name: [2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate Openeye Name: [2-(2,5-diethoxy-4-morpholino-anilino)-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [2-[2,5-diethoxy-4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [2-(2,5-diethoxy-4-morpholino-anilino)-2-keto-ethyl] ester Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)CCC(=O)C

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)CCC(=O)C

InChI

InChI=1S/C21H30N2O7/c1-4-28-18-13-17(23-8-10-27-11-9-23)19(29-5-2)12-16(18)22-20(25)14-30-21(26)7-6-15(3)24/h12-13H,4-11,14H2,1-3H3,(H,22,25)