4-(5-fluoranyl-3-methyl-1H-indol-2-yl)-N,N-dimethyl-1-phenyl-cyclohexan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 4-(5-fluoranyl-3-methyl-1H-indol-2-yl)-N,N-dimethyl-1-phenyl-cyclohexan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 4-(5-fluoro-3-methyl-1H-indol-2-yl)-N,N-dimethyl-1-phenyl-cyclohexanamine CAS Name: 4-(5-fluoro-3-methyl-1H-indol-2-yl)-N,N-dimethyl-1-phenyl-1-cyclohexanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 4-(5-fluoro-3-methyl-1H-indol-2-yl)-N,N-dimethyl-1-phenylcyclohexan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; [4-(5-fluoro-3-methyl-1H-indol-2-yl)-1-phenyl-cyclohexyl]-dimethyl-amine Formula: C29H35FN2O7 MolecularWeight: 542.595803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)F)C3CCC(CC3)(C4=CC=CC=C4)N(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)F)C3CCC(CC3)(C4=CC=CC=C4)N(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C23H27FN2.C6H8O7/c1-16-20-15-19(24)9-10-21(20)25-22(16)17-11-13-23(14-12-17,26(2)3)18-7-5-4-6-8-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-10,15,17,25H,11-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)