2-[[4-chloranyl-3-[(3-fluorophenyl)carbonylamino]phenyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[4-chloranyl-3-[(3-fluorophenyl)carbonylamino]phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-chloro-3-[(3-fluorobenzoyl)amino]benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[4-chloro-3-[[(3-fluorophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-chloro-3-[(3-fluorobenzoyl)amino]benzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-chloro-3-[(3-fluorobenzoyl)amino]benzoyl]amino]-4-methyl-valeric acid Formula: C20H20ClFN2O4 MolecularWeight: 406.835203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)F

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C20H20ClFN2O4/c1-11(2)8-17(20(27)28)24-19(26)13-6-7-15(21)16(10-13)23-18(25)12-4-3-5-14(22)9-12/h3-7,9-11,17H,8H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)