ethanedioic acid; 2-(1H-indol-3-yl)-N-[(4-methoxy-2,5-dimethyl-phenyl)methyl]ethanamine

Systemtic Name: ethanedioic acid; 2-(1H-indol-3-yl)-N-[(4-methoxy-2,5-dimethyl-phenyl)methyl]ethanamine Openeye Name: 2-(1H-indol-3-yl)-N-[(4-methoxy-2,5-dimethyl-phenyl)methyl]ethanamine; oxalic acid CAS Name: 2-(1H-indol-3-yl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(1H-indol-3-yl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]ethanamine; oxalic acid Traditional Name: 2-(1H-indol-3-yl)ethyl-(4-methoxy-2,5-dimethyl-benzyl)amine; oxalic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CNCCC2=CNC3=CC=CC=C32)C)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1CNCCC2=CNC3=CC=CC=C32)C)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O.C2H2O4/c1-14-11-20(23-3)15(2)10-17(14)12-21-9-8-16-13-22-19-7-5-4-6-18(16)19;3-1(4)2(5)6/h4-7,10-11,13,21-22H,8-9,12H2,1-3H3;(H,3,4)(H,5,6)