3-methylbutyl 4-[(5-bromanylpyridin-3-yl)carbonylamino]benzoate

Systemtic Name: 3-methylbutyl 4-[(5-bromanylpyridin-3-yl)carbonylamino]benzoate Openeye Name: isopentyl 4-[(5-bromopyridine-3-carbonyl)amino]benzoate CAS Name: 4-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[(5-bromopyridine-3-carbonyl)amino]benzoate Traditional Name: 4-[(5-bromonicotinoyl)amino]benzoic acid isoamyl ester Formula: C18H19BrN2O3 MolecularWeight: 391.25906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C18H19BrN2O3/c1-12(2)7-8-24-18(23)13-3-5-16(6-4-13)21-17(22)14-9-15(19)11-20-10-14/h3-6,9-12H,7-8H2,1-2H3,(H,21,22)