ethanedioic acid; 2-[(3-indol-1-yl-2-oxidanyl-propyl)amino]phenol

Systemtic Name: ethanedioic acid; 2-[(3-indol-1-yl-2-oxidanyl-propyl)amino]phenol Openeye Name: 2-[(2-hydroxy-3-indol-1-yl-propyl)amino]phenol; oxalic acid CAS Name: 2-[[2-hydroxy-3-(1-indolyl)propyl]amino]phenol; oxalic acid IUPAC Name: 2-[(2-hydroxy-3-indol-1-ylpropyl)amino]phenol; oxalic acid Traditional Name: 2-[(2-hydroxy-3-indol-1-yl-propyl)amino]phenol; oxalic acid Formula: C19H20N2O6 MolecularWeight: 372.3719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2CC(CNC3=CC=CC=C3O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2CC(CNC3=CC=CC=C3O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18N2O2.C2H2O4/c20-14(11-18-15-6-2-4-8-17(15)21)12-19-10-9-13-5-1-3-7-16(13)19;3-1(4)2(5)6/h1-10,14,18,20-21H,11-12H2;(H,3,4)(H,5,6)