methyl 5-[4-(2-acetamidoethyl)phenyl]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[4-(2-acetamidoethyl)phenyl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[4-(2-acetamidoethyl)phenyl]-5-oxo-pentanoate CAS Name: 5-[4-(2-acetamidoethyl)phenyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[4-(2-acetamidoethyl)phenyl]-5-oxopentanoate Traditional Name: 5-[4-(2-acetamidoethyl)phenyl]-5-keto-valeric acid methyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C(=O)CCCC(=O)OC

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C(=O)CCCC(=O)OC

InChI

InChI=1S/C16H21NO4/c1-12(18)17-11-10-13-6-8-14(9-7-13)15(19)4-3-5-16(20)21-2/h6-9H,3-5,10-11H2,1-2H3,(H,17,18)