ethanedioic acid; 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone

Systemtic Name: ethanedioic acid; 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone Openeye Name: 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-(2-naphthyloxy)ethanone; oxalic acid CAS Name: 1-[4-(1H-indol-3-ylmethyl)-1-piperazinyl]-2-(2-naphthalenyloxy)ethanone; oxalic acid IUPAC Name: 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone; oxalic acid Traditional Name: 1-[4-(1H-indol-3-ylmethyl)piperazino]-2-(2-naphthoxy)ethanone; oxalic acid Formula: C27H27N3O6 MolecularWeight: 489.51978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)COC4=CC5=CC=CC=C5C=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)COC4=CC5=CC=CC=C5C=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H25N3O2.C2H2O4/c29-25(18-30-22-10-9-19-5-1-2-6-20(19)15-22)28-13-11-27(12-14-28)17-21-16-26-24-8-4-3-7-23(21)24;3-1(4)2(5)6/h1-10,15-16,26H,11-14,17-18H2;(H,3,4)(H,5,6)