ethanedioic acid; 1-(1H-indol-4-yloxy)-3-[2-methyl-4-(4-methyl-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-ol

Systemtic Name: ethanedioic acid; 1-(1H-indol-4-yloxy)-3-[2-methyl-4-(4-methyl-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-ol Openeye Name: 1-(1H-indol-4-yloxy)-3-[2-methyl-4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidyl]propan-2-ol; oxalic acid CAS Name: 1-(1H-indol-4-yloxy)-3-[2-methyl-4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidinyl]-2-propanol; oxalic acid IUPAC Name: 1-(1H-indol-4-yloxy)-3-[2-methyl-4-(4-methyl-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-2-ol; oxalic acid Traditional Name: 1-(1H-indol-4-yloxy)-3-[2-methyl-4-(4-methyl-1,3-benzothiazol-2-yl)piperidino]propan-2-ol; oxalic acid Formula: C27H31N3O6S MolecularWeight: 525.61654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1CC(COC2=CC=CC3=C2C=CN3)O)C4=NC5=C(C=CC=C5S4)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CC(CCN1CC(COC2=CC=CC3=C2C=CN3)O)C4=NC5=C(C=CC=C5S4)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H29N3O2S.C2H2O4/c1-16-5-3-8-23-24(16)27-25(31-23)18-10-12-28(17(2)13-18)14-19(29)15-30-22-7-4-6-21-20(22)9-11-26-21;3-1(4)2(5)6/h3-9,11,17-19,26,29H,10,12-15H2,1-2H3;(H,3,4)(H,5,6)