methyl 5-ethyl-5-oxidanyl-3-oxidanylidene-2-(3-phenylpropyl)heptanoate

Systemtic Name: methyl 5-ethyl-5-oxidanyl-3-oxidanylidene-2-(3-phenylpropyl)heptanoate Openeye Name: methyl 5-ethyl-5-hydroxy-3-oxo-2-(3-phenylpropyl)heptanoate CAS Name: 5-ethyl-5-hydroxy-3-oxo-2-(3-phenylpropyl)heptanoic acid methyl ester IUPAC Name: methyl 5-ethyl-5-hydroxy-3-oxo-2-(3-phenylpropyl)heptanoate Traditional Name: 5-ethyl-5-hydroxy-3-keto-2-(3-phenylpropyl)enanthic acid methyl ester Formula: C19H28O4 MolecularWeight: 320.42322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)C(CCCC1=CC=CC=C1)C(=O)OC)O

Isomeric SMILES

CCC(CC)(CC(=O)C(CCCC1=CC=CC=C1)C(=O)OC)O

InChI

InChI=1S/C19H28O4/c1-4-19(22,5-2)14-17(20)16(18(21)23-3)13-9-12-15-10-7-6-8-11-15/h6-8,10-11,16,22H,4-5,9,12-14H2,1-3H3