3-phenylpropyl 2,2-dimethylpropanoate

Systemtic Name: 3-phenylpropyl 2,2-dimethylpropanoate Openeye Name: 3-phenylpropyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 3-phenylpropyl ester Formula: C14H20O2 MolecularWeight: 220.3074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C14H20O2/c1-14(2,3)13(15)16-11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3