(2,6-dimethylphenyl) 3-butoxybenzoate

Systemtic Name: (2,6-dimethylphenyl) 3-butoxybenzoate Openeye Name: (2,6-dimethylphenyl) 3-butoxybenzoate CAS Name: 3-butoxybenzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 3-butoxybenzoate Traditional Name: 3-butoxybenzoic acid (2,6-dimethylphenyl) ester Formula: C19H22O3 MolecularWeight: 298.37618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)OC2=C(C=CC=C2C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)OC2=C(C=CC=C2C)C

InChI

InChI=1S/C19H22O3/c1-4-5-12-21-17-11-7-10-16(13-17)19(20)22-18-14(2)8-6-9-15(18)3/h6-11,13H,4-5,12H2,1-3H3