[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methyl-pentanoate

Systemtic Name: [2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methyl-pentanoate Openeye Name: [2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl] 2-benzamido-4-methyl-pentanoate CAS Name: 2-benzamido-4-methylpentanoic acid [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl] 2-benzamido-4-methylpentanoate Traditional Name: 2-benzamido-4-methyl-valeric acid [2-[(5-bromo-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C20H22BrN3O4 MolecularWeight: 448.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NC1=NC=C(C=C1)Br)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)NC1=NC=C(C=C1)Br)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22BrN3O4/c1-13(2)10-16(23-19(26)14-6-4-3-5-7-14)20(27)28-12-18(25)24-17-9-8-15(21)11-22-17/h3-9,11,13,16H,10,12H2,1-2H3,(H,23,26)(H,22,24,25)