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

Systemtic Name: ethanedioic acid; hexyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate Openeye Name: hexyl 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 hexyl ester; oxalic acid IUPAC Name: hexyl 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 hexyl ester; oxalic acid Formula: C22H31NO6 MolecularWeight: 405.48464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO2.C2H2O4/c1-3-5-6-10-15-23-20(22)19-16-21(4-2)14-13-18(19)17-11-8-7-9-12-17;3-1(4)2(5)6/h7-9,11-13,19H,3-6,10,14-16H2,1-2H3;(H,3,4)(H,5,6)