methyl 2-[[2-(3-methoxyprop-1-ynyl)phenyl]methyl]-5-methyl-4-oxidanylidene-hexanoate

Systemtic Name: methyl 2-[[2-(3-methoxyprop-1-ynyl)phenyl]methyl]-5-methyl-4-oxidanylidene-hexanoate Openeye Name: methyl 2-[[2-(3-methoxyprop-1-ynyl)phenyl]methyl]-5-methyl-4-oxo-hexanoate CAS Name: 2-[[2-(3-methoxyprop-1-ynyl)phenyl]methyl]-5-methyl-4-oxohexanoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-methoxyprop-1-ynyl)phenyl]methyl]-5-methyl-4-oxohexanoate Traditional Name: 4-keto-2-[2-(3-methoxyprop-1-ynyl)benzyl]-5-methyl-hexanoic acid methyl ester Formula: C19H24O4 MolecularWeight: 316.39146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24O4/c1-14(2)18(20)13-17(19(21)23-4)12-16-9-6-5-8-15(16)10-7-11-22-3/h5-6,8-9,14,17H,11-13H2,1-4H3