[4-[2-(propan-2-ylamino)ethanoyl]-2-pyridin-3-ylcarbonyloxy-phenyl] pyridine-3-carboxylate hydrochloride

Systemtic Name: [4-[2-(propan-2-ylamino)ethanoyl]-2-pyridin-3-ylcarbonyloxy-phenyl] pyridine-3-carboxylate hydrochloride Openeye Name: [4-[2-(isopropylamino)acetyl]-2-(pyridine-3-carbonyloxy)phenyl] pyridine-3-carboxylate hydrochloride CAS Name: 3-pyridinecarboxylic acid [4-[1-oxo-2-(propan-2-ylamino)ethyl]-2-[oxo(3-pyridinyl)methoxy]phenyl] ester hydrochloride IUPAC Name: [4-[2-(propan-2-ylamino)acetyl]-2-(pyridine-3-carbonyloxy)phenyl] pyridine-3-carboxylate hydrochloride Traditional Name: nicotinic acid [4-[2-(isopropylamino)acetyl]-2-nicotinoyloxy-phenyl] ester hydrochloride Formula: C23H22ClN3O5 MolecularWeight: 455.89088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(=O)C1=CC(=C(C=C1)OC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3.Cl

Isomeric SMILES

CC(C)NCC(=O)C1=CC(=C(C=C1)OC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3.Cl

InChI

InChI=1S/C23H21N3O5.ClH/c1-15(2)26-14-19(27)16-7-8-20(30-22(28)17-5-3-9-24-12-17)21(11-16)31-23(29)18-6-4-10-25-13-18;/h3-13,15,26H,14H2,1-2H3;1H