2-(pyridin-4-ylcarbonylamino)ethyl 3,4,5-trimethoxybenzoate hydrochloride

Systemtic Name: 2-(pyridin-4-ylcarbonylamino)ethyl 3,4,5-trimethoxybenzoate hydrochloride Openeye Name: 2-(pyridine-4-carbonylamino)ethyl 3,4,5-trimethoxybenzoate hydrochloride CAS Name: 3,4,5-trimethoxybenzoic acid 2-[[oxo(pyridin-4-yl)methyl]amino]ethyl ester hydrochloride IUPAC Name: 2-(pyridine-4-carbonylamino)ethyl 3,4,5-trimethoxybenzoate hydrochloride Traditional Name: 3,4,5-trimethoxybenzoic acid 2-isonicotinamidoethyl ester hydrochloride Formula: C18H21ClN2O6 MolecularWeight: 396.82214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCNC(=O)C2=CC=NC=C2.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCNC(=O)C2=CC=NC=C2.Cl

InChI

InChI=1S/C18H20N2O6.ClH/c1-23-14-10-13(11-15(24-2)16(14)25-3)18(22)26-9-8-20-17(21)12-4-6-19-7-5-12;/h4-7,10-11H,8-9H2,1-3H3,(H,20,21);1H