ethanedioic acid; 1-(1H-indol-4-yloxy)-3-[2-methyl-4-(3-methyl-1-benzothiophen-5-yl)piperidin-1-yl]propan-2-ol

Systemtic Name: ethanedioic acid; 1-(1H-indol-4-yloxy)-3-[2-methyl-4-(3-methyl-1-benzothiophen-5-yl)piperidin-1-yl]propan-2-ol Openeye Name: 1-(1H-indol-4-yloxy)-3-[2-methyl-4-(3-methylbenzothiophen-5-yl)-1-piperidyl]propan-2-ol; oxalic acid CAS Name: 1-(1H-indol-4-yloxy)-3-[2-methyl-4-(3-methyl-1-benzothiophen-5-yl)-1-piperidinyl]-2-propanol; oxalic acid IUPAC Name: 1-(1H-indol-4-yloxy)-3-[2-methyl-4-(3-methyl-1-benzothiophen-5-yl)piperidin-1-yl]propan-2-ol; oxalic acid Traditional Name: 1-(1H-indol-4-yloxy)-3-[2-methyl-4-(3-methylbenzothiophen-5-yl)piperidino]propan-2-ol; oxalic acid Formula: C28H32N2O6S MolecularWeight: 524.62848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1CC(COC2=CC=CC3=C2C=CN3)O)C4=CC5=C(C=C4)SC=C5C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CC(CCN1CC(COC2=CC=CC3=C2C=CN3)O)C4=CC5=C(C=C4)SC=C5C.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H30N2O2S.C2H2O4/c1-17-16-31-26-7-6-19(13-23(17)26)20-9-11-28(18(2)12-20)14-21(29)15-30-25-5-3-4-24-22(25)8-10-27-24;3-1(4)2(5)6/h3-8,10,13,16,18,20-21,27,29H,9,11-12,14-15H2,1-2H3;(H,3,4)(H,5,6)