methyl 3-oxidanylidene-2-(phenylmethyl)hept-6-ynoate

Systemtic Name: methyl 3-oxidanylidene-2-(phenylmethyl)hept-6-ynoate Openeye Name: methyl 2-benzyl-3-oxo-hept-6-ynoate CAS Name: 3-oxo-2-(phenylmethyl)-6-heptynoic acid methyl ester IUPAC Name: methyl 2-benzyl-3-oxohept-6-ynoate Traditional Name: 2-benzyl-3-keto-hept-6-ynoic acid methyl ester Formula: C15H16O3 MolecularWeight: 244.28574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)C(=O)CCC#C

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)C(=O)CCC#C

InChI

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