pentan-2-yl 3-phenylpropanoate

Systemtic Name: pentan-2-yl 3-phenylpropanoate Openeye Name: 1-methylbutyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid 1-methylbutyl ester Formula: C14H20O2 MolecularWeight: 220.3074

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCC(C)OC(=O)CCC1=CC=CC=C1

InChI

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