methyl 2-[(2-ethynylphenyl)methyl]-4-oxidanylidene-pentanoate

Systemtic Name: methyl 2-[(2-ethynylphenyl)methyl]-4-oxidanylidene-pentanoate Openeye Name: methyl 2-[(2-ethynylphenyl)methyl]-4-oxo-pentanoate CAS Name: 2-[(2-ethynylphenyl)methyl]-4-oxopentanoic acid methyl ester IUPAC Name: methyl 2-[(2-ethynylphenyl)methyl]-4-oxopentanoate Traditional Name: 2-(2-ethynylbenzyl)-4-keto-valeric acid methyl ester Formula: C15H16O3 MolecularWeight: 244.28574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16O3/c1-4-12-7-5-6-8-13(12)10-14(9-11(2)16)15(17)18-3/h1,5-8,14H,9-10H2,2-3H3