2-(butylamino)-N-(2-chloranyl-6-methyl-phenyl)ethanamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-(butylamino)-N-(2-chloranyl-6-methyl-phenyl)ethanamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 2-(butylamino)-N-(2-chloro-6-methyl-phenyl)acetamide; citric acid CAS Name: 2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 2-(butylamino)-N-(2-chloro-6-methyl-phenyl)acetamide; citric acid Formula: C32H46Cl2N4O9 MolecularWeight: 701.63504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(=O)NC1=C(C=CC=C1Cl)C.CCCCNCC(=O)NC1=C(C=CC=C1Cl)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCNCC(=O)NC1=C(C=CC=C1Cl)C.CCCCNCC(=O)NC1=C(C=CC=C1Cl)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/2C13H19ClN2O.C6H8O7/c2*1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*5-7,15H,3-4,8-9H2,1-2H3,(H,16,17);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)