(4-pentanoylphenyl) 3,4-dimethylbenzoate

Systemtic Name: (4-pentanoylphenyl) 3,4-dimethylbenzoate Openeye Name: (4-pentanoylphenyl) 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [4-(1-oxopentyl)phenyl] ester IUPAC Name: (4-pentanoylphenyl) 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid (4-valerylphenyl) ester Formula: C20H22O3 MolecularWeight: 310.38688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O3/c1-4-5-6-19(21)16-9-11-18(12-10-16)23-20(22)17-8-7-14(2)15(3)13-17/h7-13H,4-6H2,1-3H3