ethyl 3-phenylpropanoate; [methyl-(methylcarbamoyl)-(2-pyridin-2-ylethyl)azaniumyl]methanoate

Systemtic Name: ethyl 3-phenylpropanoate; [methyl-(methylcarbamoyl)-(2-pyridin-2-ylethyl)azaniumyl]methanoate Openeye Name: ethyl 3-phenylpropanoate; [methyl-(methylcarbamoyl)-[2-(2-pyridyl)ethyl]ammonio]formate CAS Name: [methyl-(methylcarbamoyl)-[2-(2-pyridinyl)ethyl]ammonio]formate; 3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-phenylpropanoate; [methyl-(methylcarbamoyl)-(2-pyridin-2-ylethyl)azaniumyl]formate Traditional Name: [methyl-(methylcarbamoyl)-[2-(2-pyridyl)ethyl]ammonio]formate; 3-phenylpropionic acid ethyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=CC=C1.CNC(=O)[N+](C)(CCC1=CC=CC=N1)C(=O)[O-]

Isomeric SMILES

CCOC(=O)CCC1=CC=CC=C1.CNC(=O)[N+](C)(CCC1=CC=CC=N1)C(=O)[O-]

InChI

InChI=1S/C11H15N3O3.C11H14O2/c1-12-10(15)14(2,11(16)17)8-6-9-5-3-4-7-13-9;1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-5,7H,6,8H2,1-2H3,(H-,12,15,16,17);3-7H,2,8-9H2,1H3