ethanedioic acid; 3-[[1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carbonitrile

Systemtic Name: ethanedioic acid; 3-[[1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carbonitrile Openeye Name: 3-[[1-(2-furylmethyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carbonitrile; oxalic acid CAS Name: 3-[[1-(2-furanylmethyl)-3-pyrrolidinyl]methyl]-1H-indole-5-carbonitrile; oxalic acid IUPAC Name: 3-[[1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carbonitrile; oxalic acid Traditional Name: 3-[[1-(2-furfuryl)pyrrolidin-3-yl]methyl]-1H-indole-5-carbonitrile; oxalic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CC2=CNC3=C2C=C(C=C3)C#N)CC4=CC=CO4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC1CC2=CNC3=C2C=C(C=C3)C#N)CC4=CC=CO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H19N3O.C2H2O4/c20-10-14-3-4-19-18(9-14)16(11-21-19)8-15-5-6-22(12-15)13-17-2-1-7-23-17;3-1(4)2(5)6/h1-4,7,9,11,15,21H,5-6,8,12-13H2;(H,3,4)(H,5,6)