methyl 4-[5-acetamido-2-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[5-acetamido-2-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[5-acetamido-2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-4-oxo-butanoate CAS Name: 4-[5-acetamido-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[5-acetamido-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-4-oxobutanoate Traditional Name: 4-[5-acetamido-2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-4-keto-butyric acid methyl ester Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)CCC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)CCC(=O)OC

InChI

InChI=1S/C20H30N2O6/c1-13(23)22-14-6-8-18(28-12-15(24)11-21-20(2,3)4)16(10-14)17(25)7-9-19(26)27-5/h6,8,10,15,21,24H,7,9,11-12H2,1-5H3,(H,22,23)