methyl 3-phenylpropanoate; 3-phenylpropanoate

Systemtic Name: methyl 3-phenylpropanoate; 3-phenylpropanoate Openeye Name: methyl 3-phenylpropanoate; 3-phenylpropanoate CAS Name: 3-phenylpropanoate; 3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-phenylpropanoate; 3-phenylpropanoate Traditional Name: 3-phenylpropionate; 3-phenylpropionic acid methyl ester Formula: C19H21O4- MolecularWeight: 313.36764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O2.C9H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9;10-9(11)7-6-8-4-2-1-3-5-8/h2-6H,7-8H2,1H3;1-5H,6-7H2,(H,10,11)/p-1