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

Systemtic Name: methyl 4-[[2-(pyridin-4-ylmethylamino)pyridin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(4-pyridylmethylamino)pyridine-3-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]benzoate Traditional Name: 4-[[2-(4-pyridylmethylamino)nicotinoyl]amino]benzoic acid methyl ester Formula: C20H18N4O3 MolecularWeight: 362.38192

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3/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)