ethanedioic acid; 1-(4-piperidin-1-ylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine

Systemtic Name: ethanedioic acid; 1-(4-piperidin-1-ylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine Openeye Name: oxalic acid; 1-[4-(1-piperidyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine CAS Name: oxalic acid; 1-[4-(1-piperidinyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine IUPAC Name: oxalic acid; 1-(4-piperidin-1-ylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine Traditional Name: oxalic acid; (4-piperidinobenzyl)-(2,4,5-trimethoxybenzyl)amine Formula: C24H32N2O7 MolecularWeight: 460.52008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNCC2=CC=C(C=C2)N3CCCCC3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1CNCC2=CC=C(C=C2)N3CCCCC3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H30N2O3.C2H2O4/c1-25-20-14-22(27-3)21(26-2)13-18(20)16-23-15-17-7-9-19(10-8-17)24-11-5-4-6-12-24;3-1(4)2(5)6/h7-10,13-14,23H,4-6,11-12,15-16H2,1-3H3;(H,3,4)(H,5,6)