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

Systemtic Name: ethanedioic acid; 1-[4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-piperidin-1-yl]-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol Openeye Name: 1-[4-(4-methoxybenzothiophen-2-yl)-2-methyl-1-piperidyl]-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol; oxalic acid CAS Name: 1-[4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-1-piperidinyl]-3-[(2-methyl-1H-indol-4-yl)oxy]-2-propanol; oxalic acid IUPAC Name: 1-[4-(4-methoxy-1-benzothiophen-2-yl)-2-methylpiperidin-1-yl]-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol; oxalic acid Traditional Name: 1-[4-(4-methoxybenzothiophen-2-yl)-2-methyl-piperidino]-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol; oxalic acid Formula: C29H34N2O7S MolecularWeight: 554.65446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1CC(COC2=CC=CC3=C2C=C(N3)C)O)C4=CC5=C(C=CC=C5S4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CC(CCN1CC(COC2=CC=CC3=C2C=C(N3)C)O)C4=CC5=C(C=CC=C5S4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H32N2O3S.C2H2O4/c1-17-12-21-23(28-17)6-4-8-25(21)32-16-20(30)15-29-11-10-19(13-18(29)2)27-14-22-24(31-3)7-5-9-26(22)33-27;3-1(4)2(5)6/h4-9,12,14,18-20,28,30H,10-11,13,15-16H2,1-3H3;(H,3,4)(H,5,6)