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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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