4-[3-(2-imidazol-1-ylethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenyl-cyclohexan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 4-[3-(2-imidazol-1-ylethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenyl-cyclohexan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 4-[3-(2-imidazol-1-ylethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenyl-cyclohexanamine CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 4-[3-[2-(1-imidazolyl)ethyl]-1H-indol-2-yl]-N,N-dimethyl-1-phenyl-1-cyclohexanamine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 4-[3-(2-imidazol-1-ylethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine Traditional Name: citric acid; [4-[3-(2-imidazol-1-ylethyl)-1H-indol-2-yl]-1-phenyl-cyclohexyl]-dimethyl-amine Formula: C33H40N4O7 MolecularWeight: 604.6933

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCC(CC1)C2=C(C3=CC=CC=C3N2)CCN4C=CN=C4)C5=CC=CC=C5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN(C)C1(CCC(CC1)C2=C(C3=CC=CC=C3N2)CCN4C=CN=C4)C5=CC=CC=C5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C27H32N4.C6H8O7/c1-30(2)27(22-8-4-3-5-9-22)15-12-21(13-16-27)26-24(14-18-31-19-17-28-20-31)23-10-6-7-11-25(23)29-26;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11,17,19-21,29H,12-16,18H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)