[4-(2-azanylethyl)-2-pyridin-3-ylcarbonyloxy-phenyl] pyridine-3-carboxylate hydrochloride

Systemtic Name: [4-(2-azanylethyl)-2-pyridin-3-ylcarbonyloxy-phenyl] pyridine-3-carboxylate hydrochloride Openeye Name: [4-(2-aminoethyl)-2-(pyridine-3-carbonyloxy)phenyl] pyridine-3-carboxylate hydrochloride CAS Name: 3-pyridinecarboxylic acid [4-(2-aminoethyl)-2-[oxo(3-pyridinyl)methoxy]phenyl] ester hydrochloride IUPAC Name: [4-(2-aminoethyl)-2-(pyridine-3-carbonyloxy)phenyl] pyridine-3-carboxylate hydrochloride Traditional Name: nicotinic acid [4-(2-aminoethyl)-2-nicotinoyloxy-phenyl] ester hydrochloride Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OC2=C(C=C(C=C2)CCN)OC(=O)C3=CN=CC=C3.Cl

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OC2=C(C=C(C=C2)CCN)OC(=O)C3=CN=CC=C3.Cl

InChI

InChI=1S/C20H17N3O4.ClH/c21-8-7-14-5-6-17(26-19(24)15-3-1-9-22-12-15)18(11-14)27-20(25)16-4-2-10-23-13-16;/h1-6,9-13H,7-8,21H2;1H