ethanedioic acid; 2-[1-(phenylmethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one

Systemtic Name: ethanedioic acid; 2-[1-(phenylmethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one Openeye Name: 2-(1-benzyl-4-piperidyl)chroman-4-one; oxalic acid CAS Name: oxalic acid; 2-[1-(phenylmethyl)-4-piperidinyl]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one; oxalic acid Traditional Name: 2-(1-benzyl-4-piperidyl)chroman-4-one; oxalic acid Formula: C23H25NO6 MolecularWeight: 411.4477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CC(=O)C3=CC=CC=C3O2)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1C2CC(=O)C3=CC=CC=C3O2)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H23NO2.C2H2O4/c23-19-14-21(24-20-9-5-4-8-18(19)20)17-10-12-22(13-11-17)15-16-6-2-1-3-7-16;3-1(4)2(5)6/h1-9,17,21H,10-15H2;(H,3,4)(H,5,6)