methyl 4-[2-(6-acetamidohexyl)phenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[2-(6-acetamidohexyl)phenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-(6-acetamidohexyl)phenyl]-4-oxo-butanoate CAS Name: 4-[2-(6-acetamidohexyl)phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-(6-acetamidohexyl)phenyl]-4-oxobutanoate Traditional Name: 4-[2-(6-acetamidohexyl)phenyl]-4-keto-butyric acid methyl ester Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCCCC1=CC=CC=C1C(=O)CCC(=O)OC

Isomeric SMILES

CC(=O)NCCCCCCC1=CC=CC=C1C(=O)CCC(=O)OC

InChI

InChI=1S/C19H27NO4/c1-15(21)20-14-8-4-3-5-9-16-10-6-7-11-17(16)18(22)12-13-19(23)24-2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H,20,21)