ethanedioic acid; N-[(1-phenylpyrrol-2-yl)methyl]butan-1-amine

Systemtic Name: ethanedioic acid; N-[(1-phenylpyrrol-2-yl)methyl]butan-1-amine Openeye Name: oxalic acid; N-[(1-phenylpyrrol-2-yl)methyl]butan-1-amine CAS Name: oxalic acid; N-[(1-phenyl-2-pyrrolyl)methyl]-1-butanamine IUPAC Name: oxalic acid; N-[(1-phenylpyrrol-2-yl)methyl]butan-1-amine Traditional Name: butyl-[(1-phenylpyrrol-2-yl)methyl]amine; oxalic acid Formula: C17H22N2O4 MolecularWeight: 318.36758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC=CN1C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCC1=CC=CN1C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H20N2.C2H2O4/c1-2-3-11-16-13-15-10-7-12-17(15)14-8-5-4-6-9-14;3-1(4)2(5)6/h4-10,12,16H,2-3,11,13H2,1H3;(H,3,4)(H,5,6)