2-(5-chloranyl-2-phenyl-phenyl)-3-(2-methylpropylcarbamoylamino)hexanedioic acid

Systemtic Name: 2-(5-chloranyl-2-phenyl-phenyl)-3-(2-methylpropylcarbamoylamino)hexanedioic acid Openeye Name: 2-(5-chloro-2-phenyl-phenyl)-3-(isobutylcarbamoylamino)hexanedioic acid CAS Name: 2-(5-chloro-2-phenylphenyl)-3-[[(2-methylpropylamino)-oxomethyl]amino]hexanedioic acid IUPAC Name: 2-(5-chloro-2-phenylphenyl)-3-(2-methylpropylcarbamoylamino)hexanedioic acid Traditional Name: 2-(5-chloro-2-phenyl-phenyl)-3-(isobutylcarbamoylamino)adipic acid Formula: C23H27ClN2O5 MolecularWeight: 446.92388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CCC(=O)O)C(C1=C(C=CC(=C1)Cl)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC(CCC(=O)O)C(C1=C(C=CC(=C1)Cl)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H27ClN2O5/c1-14(2)13-25-23(31)26-19(10-11-20(27)28)21(22(29)30)18-12-16(24)8-9-17(18)15-6-4-3-5-7-15/h3-9,12,14,19,21H,10-11,13H2,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)