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

Systemtic Name: 3-pyridin-3-ylpropyl 3,4,5-trimethoxybenzoate hydrochloride Openeye Name: 3-(3-pyridyl)propyl 3,4,5-trimethoxybenzoate hydrochloride CAS Name: 3,4,5-trimethoxybenzoic acid 3-(3-pyridinyl)propyl ester hydrochloride IUPAC Name: 3-pyridin-3-ylpropyl 3,4,5-trimethoxybenzoate hydrochloride Traditional Name: 3,4,5-trimethoxybenzoic acid 3-(3-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=CN=CC=C2.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCC2=CN=CC=C2.Cl

InChI

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