methyl 2-[[2-(3-methoxyprop-1-ynyl)phenyl]methyl]-4-oxidanylidene-pentanoate

Systemtic Name: methyl 2-[[2-(3-methoxyprop-1-ynyl)phenyl]methyl]-4-oxidanylidene-pentanoate Openeye Name: methyl 2-[[2-(3-methoxyprop-1-ynyl)phenyl]methyl]-4-oxo-pentanoate CAS Name: 2-[[2-(3-methoxyprop-1-ynyl)phenyl]methyl]-4-oxopentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-methoxyprop-1-ynyl)phenyl]methyl]-4-oxopentanoate Traditional Name: 4-keto-2-[2-(3-methoxyprop-1-ynyl)benzyl]valeric acid methyl ester Formula: C17H20O4 MolecularWeight: 288.3383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CC1=CC=CC=C1C#CCOC)C(=O)OC

Isomeric SMILES

CC(=O)CC(CC1=CC=CC=C1C#CCOC)C(=O)OC

InChI

InChI=1S/C17H20O4/c1-13(18)11-16(17(19)21-3)12-15-8-5-4-7-14(15)9-6-10-20-2/h4-5,7-8,16H,10-12H2,1-3H3