2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl pyridine-3-carboxylate hydrochloride

Systemtic Name: 2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl pyridine-3-carboxylate hydrochloride Openeye Name: 2-[(3,4,5-trimethoxybenzoyl)amino]ethyl pyridine-3-carboxylate hydrochloride CAS Name: 3-pyridinecarboxylic acid 2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethyl ester hydrochloride IUPAC Name: 2-[(3,4,5-trimethoxybenzoyl)amino]ethyl pyridine-3-carboxylate hydrochloride Traditional Name: nicotinic acid 2-[(3,4,5-trimethoxybenzoyl)amino]ethyl ester hydrochloride Formula: C18H21ClN2O6 MolecularWeight: 396.82214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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