3-pyridin-2-ylpropyl 2-phenylethanoate hydrochloride

Systemtic Name: 3-pyridin-2-ylpropyl 2-phenylethanoate hydrochloride Openeye Name: 3-(2-pyridyl)propyl 2-phenylacetate hydrochloride CAS Name: 2-phenylacetic acid 3-(2-pyridinyl)propyl ester hydrochloride IUPAC Name: 3-pyridin-2-ylpropyl 2-phenylacetate hydrochloride Traditional Name: 2-phenylacetic acid 3-(2-pyridyl)propyl ester hydrochloride Formula: C32H35ClN2O4 MolecularWeight: 547.0843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)OCCCC2=CC=CC=N2.C1=CC=C(C=C1)CC(=O)OCCCC2=CC=CC=N2.Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)OCCCC2=CC=CC=N2.C1=CC=C(C=C1)CC(=O)OCCCC2=CC=CC=N2.Cl

InChI

InChI=1S/2C16H17NO2.ClH/c2*18-16(13-14-7-2-1-3-8-14)19-12-6-10-15-9-4-5-11-17-15;/h2*1-5,7-9,11H,6,10,12-13H2;1H