ethanedioic acid; [1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-yl-methanone

Systemtic Name: ethanedioic acid; [1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(2-methoxyphenyl)methyl]-3-piperidyl]-(1-piperidyl)methanone; oxalic acid CAS Name: [1-[(2-methoxyphenyl)methyl]-3-piperidinyl]-(1-piperidinyl)methanone; oxalic acid IUPAC Name: [1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone; oxalic acid Traditional Name: (1-o-anisyl-3-piperidyl)-piperidino-methanone; oxalic acid Formula: C21H30N2O6 MolecularWeight: 406.4727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2CCCC(C2)C(=O)N3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1CN2CCCC(C2)C(=O)N3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O2.C2H2O4/c1-23-18-10-4-3-8-16(18)14-20-11-7-9-17(15-20)19(22)21-12-5-2-6-13-21;3-1(4)2(5)6/h3-4,8,10,17H,2,5-7,9,11-15H2,1H3;(H,3,4)(H,5,6)