3-(4-ethoxyphenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-(4-ethoxyphenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 3-(4-ethoxyphenyl)-N,N-diethyl-indan-1-amine CAS Name: 3-(4-ethoxyphenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 3-(4-ethoxyphenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; diethyl-(3-p-phenetylindan-1-yl)amine Formula: C27H35NO8 MolecularWeight: 501.5687

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1CC(C2=CC=CC=C12)C3=CC=C(C=C3)OCC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)C1CC(C2=CC=CC=C12)C3=CC=C(C=C3)OCC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H27NO.C6H8O7/c1-4-22(5-2)21-15-20(18-9-7-8-10-19(18)21)16-11-13-17(14-12-16)23-6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-14,20-21H,4-6,15H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)