heptan-3-yl 2-phenylethanoate

Systemtic Name: heptan-3-yl 2-phenylethanoate Openeye Name: 1-ethylpentyl 2-phenylacetate CAS Name: 2-phenylacetic acid heptan-3-yl ester IUPAC Name: heptan-3-yl 2-phenylacetate Traditional Name: 2-phenylacetic acid 1-ethylpentyl ester Formula: C15H22O2 MolecularWeight: 234.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)OC(=O)CC1=CC=CC=C1

Isomeric SMILES

CCCCC(CC)OC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C15H22O2/c1-3-5-11-14(4-2)17-15(16)12-13-9-7-6-8-10-13/h6-10,14H,3-5,11-12H2,1-2H3