2-cyclohexyl-2-[2-diethylaminoethyl(methyl)amino]-2-oxidanyl-1-phenyl-ethanone; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-cyclohexyl-2-[2-diethylaminoethyl(methyl)amino]-2-oxidanyl-1-phenyl-ethanone; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-cyclohexyl-2-[2-diethylaminoethyl(methyl)amino]-2-hydroxy-1-phenyl-ethanone CAS Name: 2-cyclohexyl-2-[2-diethylaminoethyl(methyl)amino]-2-hydroxy-1-phenylethanone; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-cyclohexyl-2-[2-diethylaminoethyl(methyl)amino]-2-hydroxy-1-phenylethanone; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 2-cyclohexyl-2-[2-diethylaminoethyl(methyl)amino]-2-hydroxy-1-phenyl-ethanone Formula: C27H42N2O9 MolecularWeight: 538.63038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C)C(C1CCCCC1)(C(=O)C2=CC=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCN(C)C(C1CCCCC1)(C(=O)C2=CC=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H34N2O2.C6H8O7/c1-4-23(5-2)17-16-22(3)21(25,19-14-10-7-11-15-19)20(24)18-12-8-6-9-13-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h6,8-9,12-13,19,25H,4-5,7,10-11,14-17H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)