ethanedioic acid; 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine

Systemtic Name: ethanedioic acid; 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine Openeye Name: 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-pyridylmethyl)ethanamine; oxalic acid CAS Name: 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-pyridinylmethyl)ethanamine; oxalic acid IUPAC Name: 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine; oxalic acid Traditional Name: 2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl-(3-pyridylmethyl)amine; oxalic acid Formula: C20H23N3O5 MolecularWeight: 385.41372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)OC)CCNCC3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)OC)CCNCC3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21N3O.C2H2O4/c1-13-16(7-9-20-12-14-4-3-8-19-11-14)17-10-15(22-2)5-6-18(17)21-13;3-1(4)2(5)6/h3-6,8,10-11,20-21H,7,9,12H2,1-2H3;(H,3,4)(H,5,6)