ethanedioic acid; 4-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline

Systemtic Name: ethanedioic acid; 4-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline Openeye Name: 4-[1-[3-(1H-indol-4-yloxy)propyl]-4-piperidyl]isoquinoline; oxalic acid CAS Name: 4-[1-[3-(1H-indol-4-yloxy)propyl]-4-piperidinyl]isoquinoline; oxalic acid IUPAC Name: 4-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline; oxalic acid Traditional Name: 4-[1-[3-(1H-indol-4-yloxy)propyl]-4-piperidyl]isoquinoline; oxalic acid Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN=CC3=CC=CC=C32)CCCOC4=CC=CC5=C4C=CN5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1C2=CN=CC3=CC=CC=C32)CCCOC4=CC=CC5=C4C=CN5.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H27N3O.C2H2O4/c1-2-6-21-20(5-1)17-26-18-23(21)19-10-14-28(15-11-19)13-4-16-29-25-8-3-7-24-22(25)9-12-27-24;3-1(4)2(5)6/h1-3,5-9,12,17-19,27H,4,10-11,13-16H2;(H,3,4)(H,5,6)