(2-pentanoylphenyl) 4-methylbenzoate

Systemtic Name: (2-pentanoylphenyl) 4-methylbenzoate Openeye Name: (2-pentanoylphenyl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-(1-oxopentyl)phenyl] ester IUPAC Name: (2-pentanoylphenyl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (2-valerylphenyl) ester Formula: C19H20O3 MolecularWeight: 296.3603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC(=O)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H20O3/c1-3-4-8-17(20)16-7-5-6-9-18(16)22-19(21)15-12-10-14(2)11-13-15/h5-7,9-13H,3-4,8H2,1-2H3