ethanedioic acid; 1-[(3-phenoxyphenyl)methyl]-4-pyrrolidin-1-yl-piperidine

Systemtic Name: ethanedioic acid; 1-[(3-phenoxyphenyl)methyl]-4-pyrrolidin-1-yl-piperidine Openeye Name: oxalic acid; 1-[(3-phenoxyphenyl)methyl]-4-pyrrolidin-1-yl-piperidine CAS Name: oxalic acid; 1-[(3-phenoxyphenyl)methyl]-4-(1-pyrrolidinyl)piperidine IUPAC Name: oxalic acid; 1-[(3-phenoxyphenyl)methyl]-4-pyrrolidin-1-ylpiperidine Traditional Name: oxalic acid; 1-(3-phenoxybenzyl)-4-pyrrolidino-piperidine Formula: C24H30N2O5 MolecularWeight: 426.5054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N2O.C2H2O4/c1-2-8-21(9-3-1)25-22-10-6-7-19(17-22)18-23-15-11-20(12-16-23)24-13-4-5-14-24;3-1(4)2(5)6/h1-3,6-10,17,20H,4-5,11-16,18H2;(H,3,4)(H,5,6)