3-pyridin-2-ylpropyl 3,4,5-trimethoxybenzoate hydrochloride

Systemtic Name: 3-pyridin-2-ylpropyl 3,4,5-trimethoxybenzoate hydrochloride Openeye Name: 3-(2-pyridyl)propyl 3,4,5-trimethoxybenzoate hydrochloride CAS Name: 3,4,5-trimethoxybenzoic acid 3-(2-pyridinyl)propyl ester hydrochloride IUPAC Name: 3-pyridin-2-ylpropyl 3,4,5-trimethoxybenzoate hydrochloride Traditional Name: 3,4,5-trimethoxybenzoic acid 3-(2-pyridyl)propyl ester hydrochloride Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCC2=CC=CC=N2.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCC2=CC=CC=N2.Cl

InChI

InChI=1S/C18H21NO5.ClH/c1-21-15-11-13(12-16(22-2)17(15)23-3)18(20)24-10-6-8-14-7-4-5-9-19-14;/h4-5,7,9,11-12H,6,8,10H2,1-3H3;1H