N,N-dimethyl-4-[3-methyl-1-(oxiran-2-ylmethyl)indol-2-yl]-1-phenyl-cyclohexan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N,N-dimethyl-4-[3-methyl-1-(oxiran-2-ylmethyl)indol-2-yl]-1-phenyl-cyclohexan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N,N-dimethyl-4-[3-methyl-1-(oxiran-2-ylmethyl)indol-2-yl]-1-phenyl-cyclohexanamine CAS Name: N,N-dimethyl-4-[3-methyl-1-(2-oxiranylmethyl)-2-indolyl]-1-phenyl-1-cyclohexanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N,N-dimethyl-4-[3-methyl-1-(oxiran-2-ylmethyl)indol-2-yl]-1-phenylcyclohexan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; [4-(1-glycidyl-3-methyl-indol-2-yl)-1-phenyl-cyclohexyl]-dimethyl-amine Formula: C32H40N2O8 MolecularWeight: 580.6686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC3CO3)C4CCC(CC4)(C5=CC=CC=C5)N(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CC3CO3)C4CCC(CC4)(C5=CC=CC=C5)N(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C26H32N2O.C6H8O7/c1-19-23-11-7-8-12-24(23)28(17-22-18-29-22)25(19)20-13-15-26(16-14-20,27(2)3)21-9-5-4-6-10-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12,20,22H,13-18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)