ethyl 3-(2-ethanoylphenyl)propanoate; 3-phenylpropanoate

Systemtic Name: ethyl 3-(2-ethanoylphenyl)propanoate; 3-phenylpropanoate Openeye Name: ethyl 3-(2-acetylphenyl)propanoate; 3-phenylpropanoate CAS Name: 3-(2-acetylphenyl)propanoic acid ethyl ester; 3-phenylpropanoate IUPAC Name: ethyl 3-(2-acetylphenyl)propanoate; 3-phenylpropanoate Traditional Name: 3-(2-acetylphenyl)propionic acid ethyl ester; 3-phenylpropionate Formula: C22H25O5- MolecularWeight: 369.4309

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=CC=C1C(=O)C.C1=CC=C(C=C1)CCC(=O)[O-]

Isomeric SMILES

CCOC(=O)CCC1=CC=CC=C1C(=O)C.C1=CC=C(C=C1)CCC(=O)[O-]

InChI

InChI=1S/C13H16O3.C9H10O2/c1-3-16-13(15)9-8-11-6-4-5-7-12(11)10(2)14;10-9(11)7-6-8-4-2-1-3-5-8/h4-7H,3,8-9H2,1-2H3;1-5H,6-7H2,(H,10,11)/p-1