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

Systemtic Name: 2-[[4-[(2-acetyloxyphenyl)carbonylamino]-2-chloranyl-phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-[(2-acetoxybenzoyl)amino]-2-chloro-benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[4-[[(2-acetyloxyphenyl)-oxomethyl]amino]-2-chlorophenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-[(2-acetyloxybenzoyl)amino]-2-chlorobenzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-[(2-acetoxybenzoyl)amino]-2-chloro-benzoyl]amino]-4-methyl-valeric acid Formula: C22H23ClN2O6 MolecularWeight: 446.88082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2OC(=O)C)Cl

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2OC(=O)C)Cl

InChI

InChI=1S/C22H23ClN2O6/c1-12(2)10-18(22(29)30)25-20(27)15-9-8-14(11-17(15)23)24-21(28)16-6-4-5-7-19(16)31-13(3)26/h4-9,11-12,18H,10H2,1-3H3,(H,24,28)(H,25,27)(H,29,30)