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

Systemtic Name: ethyl 3-(2-ethylphenyl)propanoate; 3-phenylpropanoate Openeye Name: ethyl 3-(2-ethylphenyl)propanoate; 3-phenylpropanoate CAS Name: 3-(2-ethylphenyl)propanoic acid ethyl ester; 3-phenylpropanoate IUPAC Name: ethyl 3-(2-ethylphenyl)propanoate; 3-phenylpropanoate Traditional Name: 3-(2-ethylphenyl)propionic acid ethyl ester; 3-phenylpropionate Formula: C22H27O4- MolecularWeight: 355.44738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CCC(=O)OCC.C1=CC=C(C=C1)CCC(=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1CCC(=O)OCC.C1=CC=C(C=C1)CCC(=O)[O-]

InChI

InChI=1S/C13H18O2.C9H10O2/c1-3-11-7-5-6-8-12(11)9-10-13(14)15-4-2;10-9(11)7-6-8-4-2-1-3-5-8/h5-8H,3-4,9-10H2,1-2H3;1-5H,6-7H2,(H,10,11)/p-1