methyl 3-methyl-5-pentanoyl-benzoate

Systemtic Name: methyl 3-methyl-5-pentanoyl-benzoate Openeye Name: methyl 3-methyl-5-pentanoyl-benzoate CAS Name: 3-methyl-5-(1-oxopentyl)benzoic acid methyl ester IUPAC Name: methyl 3-methyl-5-pentanoylbenzoate Traditional Name: 3-methyl-5-valeryl-benzoic acid methyl ester Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3/c1-4-5-6-13(15)11-7-10(2)8-12(9-11)14(16)17-3/h7-9H,4-6H2,1-3H3