ethyl 3-[3-(2,6-dimethylphenyl)propanoyl]benzoate

Systemtic Name: ethyl 3-[3-(2,6-dimethylphenyl)propanoyl]benzoate Openeye Name: ethyl 3-[3-(2,6-dimethylphenyl)propanoyl]benzoate CAS Name: 3-[3-(2,6-dimethylphenyl)-1-oxopropyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2,6-dimethylphenyl)propanoyl]benzoate Traditional Name: 3-[3-(2,6-dimethylphenyl)propanoyl]benzoic acid ethyl ester Formula: C20H22O3 MolecularWeight: 310.38688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C(=O)CCC2=C(C=CC=C2C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C(=O)CCC2=C(C=CC=C2C)C

InChI

InChI=1S/C20H22O3/c1-4-23-20(22)17-10-6-9-16(13-17)19(21)12-11-18-14(2)7-5-8-15(18)3/h5-10,13H,4,11-12H2,1-3H3