(2,3,6-trimethylphenyl) 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: (2,3,6-trimethylphenyl) 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: (2,3,6-trimethylphenyl) 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid (2,3,6-trimethylphenyl) ester Formula: C19H20O4 MolecularWeight: 312.3597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)CCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)CCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C19H20O4/c1-12-4-5-13(2)19(14(12)3)23-18(20)9-7-15-6-8-16-17(10-15)22-11-21-16/h4-6,8,10H,7,9,11H2,1-3H3