ethanedioic acid; 2-[[4-(3-phenylpropylidene)piperidin-1-yl]methyl]-1H-indole

Systemtic Name: ethanedioic acid; 2-[[4-(3-phenylpropylidene)piperidin-1-yl]methyl]-1H-indole Openeye Name: oxalic acid; 2-[[4-(3-phenylpropylidene)-1-piperidyl]methyl]-1H-indole CAS Name: oxalic acid; 2-[[4-(3-phenylpropylidene)-1-piperidinyl]methyl]-1H-indole IUPAC Name: oxalic acid; 2-[[4-(3-phenylpropylidene)piperidin-1-yl]methyl]-1H-indole Traditional Name: oxalic acid; 2-[[4-(3-phenylpropylidene)piperidino]methyl]-1H-indole Formula: C25H28N2O4 MolecularWeight: 420.50082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=CCCC2=CC=CC=C2)CC3=CC4=CC=CC=C4N3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1=CCCC2=CC=CC=C2)CC3=CC4=CC=CC=C4N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26N2.C2H2O4/c1-2-7-19(8-3-1)9-6-10-20-13-15-25(16-14-20)18-22-17-21-11-4-5-12-23(21)24-22;3-1(4)2(5)6/h1-5,7-8,10-12,17,24H,6,9,13-16,18H2;(H,3,4)(H,5,6)