methyl 6-bromanyl-3-methyl-2-[[6-methyl-2-(propylcarbamoyl)pyridin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 6-bromanyl-3-methyl-2-[[6-methyl-2-(propylcarbamoyl)pyridin-3-yl]carbonylamino]benzoate Openeye Name: methyl 6-bromo-3-methyl-2-[[6-methyl-2-(propylcarbamoyl)pyridine-3-carbonyl]amino]benzoate CAS Name: 6-bromo-3-methyl-2-[[[6-methyl-2-[oxo(propylamino)methyl]-3-pyridinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 6-bromo-3-methyl-2-[[6-methyl-2-(propylcarbamoyl)pyridine-3-carbonyl]amino]benzoate Traditional Name: 6-bromo-3-methyl-2-[[6-methyl-2-(propylcarbamoyl)nicotinoyl]amino]benzoic acid methyl ester Formula: C20H22BrN3O4 MolecularWeight: 448.31038

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C=CC(=N1)C)C(=O)NC2=C(C=CC(=C2C(=O)OC)Br)C

Isomeric SMILES

CCCNC(=O)C1=C(C=CC(=N1)C)C(=O)NC2=C(C=CC(=C2C(=O)OC)Br)C

InChI

InChI=1S/C20H22BrN3O4/c1-5-10-22-19(26)17-13(8-7-12(3)23-17)18(25)24-16-11(2)6-9-14(21)15(16)20(27)28-4/h6-9H,5,10H2,1-4H3,(H,22,26)(H,24,25)