ethanedioic acid; octyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate

Systemtic Name: ethanedioic acid; octyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate Openeye Name: octyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate; oxalic acid CAS Name: 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylic acid octyl ester; oxalic acid IUPAC Name: octyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate; oxalic acid Traditional Name: 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylic acid octyl ester; oxalic acid Formula: C24H35NO6 MolecularWeight: 433.5378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1CN(CC=C1C2=CC=CC=C2)CC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCOC(=O)C1CN(CC=C1C2=CC=CC=C2)CC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H33NO2.C2H2O4/c1-3-5-6-7-8-12-17-25-22(24)21-18-23(4-2)16-15-20(21)19-13-10-9-11-14-19;3-1(4)2(5)6/h9-11,13-15,21H,3-8,12,16-18H2,1-2H3;(H,3,4)(H,5,6)