[2-[[3,5-bis(bromanyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methyl-pentanoate

Systemtic Name: [2-[[3,5-bis(bromanyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methyl-pentanoate Openeye Name: [2-[(3,5-dibromo-2-pyridyl)amino]-2-oxo-ethyl] 2-benzamido-4-methyl-pentanoate CAS Name: 2-benzamido-4-methylpentanoic acid [2-[(3,5-dibromo-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dibromopyridin-2-yl)amino]-2-oxoethyl] 2-benzamido-4-methylpentanoate Traditional Name: 2-benzamido-4-methyl-valeric acid [2-[(3,5-dibromo-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C20H21Br2N3O4 MolecularWeight: 527.20644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NC1=C(C=C(C=N1)Br)Br)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)NC1=C(C=C(C=N1)Br)Br)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21Br2N3O4/c1-12(2)8-16(24-19(27)13-6-4-3-5-7-13)20(28)29-11-17(26)25-18-15(22)9-14(21)10-23-18/h3-7,9-10,12,16H,8,11H2,1-2H3,(H,24,27)(H,23,25,26)