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

Systemtic Name: ethanedioic acid; 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone Openeye Name: 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone; oxalic acid CAS Name: 1-[4-(1H-indol-3-ylmethyl)-1-piperazinyl]-2-(4-methylphenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone; oxalic acid Traditional Name: 1-[4-(1H-indol-3-ylmethyl)piperazino]-2-(4-methylphenoxy)ethanone; oxalic acid Formula: C24H27N3O6 MolecularWeight: 453.48768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25N3O2.C2H2O4/c1-17-6-8-19(9-7-17)27-16-22(26)25-12-10-24(11-13-25)15-18-14-23-21-5-3-2-4-20(18)21;3-1(4)2(5)6/h2-9,14,23H,10-13,15-16H2,1H3;(H,3,4)(H,5,6)