[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-pentoxyphenyl)butanoic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-pentoxyphenyl)butanoate Traditional Name: 4-(4-amoxyphenyl)-4-keto-butyric acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC(=O)NC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)O[C@@H](C)C(=O)NC(=O)NC

InChI

InChI=1S/C20H28N2O6/c1-4-5-6-13-27-16-9-7-15(8-10-16)17(23)11-12-18(24)28-14(2)19(25)22-20(26)21-3/h7-10,14H,4-6,11-13H2,1-3H3,(H2,21,22,25,26)/t14-/m0/s1