ethanedioic acid; 2-phenyl-3-[[1-(phenylmethyl)pyrrolidin-2-yl]methyl]-1H-indole

Systemtic Name: ethanedioic acid; 2-phenyl-3-[[1-(phenylmethyl)pyrrolidin-2-yl]methyl]-1H-indole Openeye Name: 3-[(1-benzylpyrrolidin-2-yl)methyl]-2-phenyl-1H-indole; oxalic acid CAS Name: oxalic acid; 2-phenyl-3-[[1-(phenylmethyl)-2-pyrrolidinyl]methyl]-1H-indole IUPAC Name: 3-[(1-benzylpyrrolidin-2-yl)methyl]-2-phenyl-1H-indole; oxalic acid Traditional Name: 3-[(1-benzylpyrrolidin-2-yl)methyl]-2-phenyl-1H-indole; oxalic acid Formula: C28H28N2O4 MolecularWeight: 456.53292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC=CC=C2)CC3=C(NC4=CC=CC=C43)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(N(C1)CC2=CC=CC=C2)CC3=C(NC4=CC=CC=C43)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H26N2.C2H2O4/c1-3-10-20(11-4-1)19-28-17-9-14-22(28)18-24-23-15-7-8-16-25(23)27-26(24)21-12-5-2-6-13-21;3-1(4)2(5)6/h1-8,10-13,15-16,22,27H,9,14,17-19H2;(H,3,4)(H,5,6)