(2,3,6-trimethylphenyl) 3-phenylpropanoate

Systemtic Name: (2,3,6-trimethylphenyl) 3-phenylpropanoate Openeye Name: (2,3,6-trimethylphenyl) 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (2,3,6-trimethylphenyl) ester Formula: C18H20O2 MolecularWeight: 268.3502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)CCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)CCC2=CC=CC=C2)C

InChI

InChI=1S/C18H20O2/c1-13-9-10-14(2)18(15(13)3)20-17(19)12-11-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3