2'-(dimethylaminomethyl)-1'-(2-methylphenyl)spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-ol; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2'-(dimethylaminomethyl)-1'-(2-methylphenyl)spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-ol; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2'-(dimethylaminomethyl)-1'-(o-tolyl)spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-ol CAS Name: 2'-(dimethylaminomethyl)-1'-(2-methylphenyl)-1'-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]ol; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2'-(dimethylaminomethyl)-1'-(2-methylphenyl)spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-ol; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 2'-(dimethylaminomethyl)-1'-(o-tolyl)spiro[4,9-dihydro-3H-pyran[3,4-b]indole-1,4'-cyclohexane]-1'-ol Formula: C32H40N2O9 MolecularWeight: 596.668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(CCC3(CC2CN(C)C)C4=C(CCO3)C5=CC=CC=C5N4)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1C2(CCC3(CC2CN(C)C)C4=C(CCO3)C5=CC=CC=C5N4)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C26H32N2O2.C6H8O7/c1-18-8-4-6-10-22(18)26(29)14-13-25(16-19(26)17-28(2)3)24-21(12-15-30-25)20-9-5-7-11-23(20)27-24;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-11,19,27,29H,12-17H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)