methyl 3-oxidanylidene-4-(phenylmethyl)octanoate

Systemtic Name: methyl 3-oxidanylidene-4-(phenylmethyl)octanoate Openeye Name: methyl 4-benzyl-3-oxo-octanoate CAS Name: 3-oxo-4-(phenylmethyl)octanoic acid methyl ester IUPAC Name: methyl 4-benzyl-3-oxooctanoate Traditional Name: 4-benzyl-3-keto-caprylic acid methyl ester Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC=CC=C1)C(=O)CC(=O)OC

Isomeric SMILES

CCCCC(CC1=CC=CC=C1)C(=O)CC(=O)OC

InChI

InChI=1S/C16H22O3/c1-3-4-10-14(15(17)12-16(18)19-2)11-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3