N,N-dimethyl-4-(3-methyl-1-benzofuran-2-yl)-1-phenyl-cyclohexan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N,N-dimethyl-4-(3-methyl-1-benzofuran-2-yl)-1-phenyl-cyclohexan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N,N-dimethyl-4-(3-methylbenzofuran-2-yl)-1-phenyl-cyclohexanamine CAS Name: N,N-dimethyl-4-(3-methyl-2-benzofuranyl)-1-phenyl-1-cyclohexanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N,N-dimethyl-4-(3-methyl-1-benzofuran-2-yl)-1-phenylcyclohexan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; dimethyl-[4-(3-methylbenzofuran-2-yl)-1-phenyl-cyclohexyl]amine Formula: C29H35NO8 MolecularWeight: 525.5901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)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(OC2=CC=CC=C12)C3CCC(CC3)(C4=CC=CC=C4)N(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C23H27NO.C6H8O7/c1-17-20-11-7-8-12-21(20)25-22(17)18-13-15-23(16-14-18,24(2)3)19-9-5-4-6-10-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12,18H,13-16H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)