methyl 4-[[2-(pyridin-4-ylmethylamino)pyridin-3-yl]carbonylamino]benzoate hydrochloride

Systemtic Name: methyl 4-[[2-(pyridin-4-ylmethylamino)pyridin-3-yl]carbonylamino]benzoate hydrochloride Openeye Name: methyl 4-[[2-(4-pyridylmethylamino)pyridine-3-carbonyl]amino]benzoate hydrochloride CAS Name: 4-[[oxo-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]methyl]amino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]benzoate hydrochloride Traditional Name: 4-[[2-(4-pyridylmethylamino)nicotinoyl]amino]benzoic acid methyl ester hydrochloride Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC=NC=C3.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC=NC=C3.Cl

InChI

InChI=1S/C20H18N4O3.ClH/c1-27-20(26)15-4-6-16(7-5-15)24-19(25)17-3-2-10-22-18(17)23-13-14-8-11-21-12-9-14;/h2-12H,13H2,1H3,(H,22,23)(H,24,25);1H