ethanedioic acid; [1-[(4-ethylphenyl)methyl]piperidin-4-yl]-morpholin-4-yl-methanone

Systemtic Name: ethanedioic acid; [1-[(4-ethylphenyl)methyl]piperidin-4-yl]-morpholin-4-yl-methanone Openeye Name: [1-[(4-ethylphenyl)methyl]-4-piperidyl]-morpholino-methanone; oxalic acid CAS Name: [1-[(4-ethylphenyl)methyl]-4-piperidinyl]-(4-morpholinyl)methanone; oxalic acid IUPAC Name: [1-[(4-ethylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone; oxalic acid Traditional Name: [1-(4-ethylbenzyl)-4-piperidyl]-morpholino-methanone; oxalic acid Formula: C21H30N2O6 MolecularWeight: 406.4727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCC(CC2)C(=O)N3CCOCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCC(CC2)C(=O)N3CCOCC3.C(=O)(C(=O)O)O

InChI

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