ethanedioic acid; heptyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

Systemtic Name: ethanedioic acid; heptyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate Openeye Name: heptyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate; oxalic acid CAS Name: 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid heptyl ester; oxalic acid IUPAC Name: heptyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate; oxalic acid Traditional Name: 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid heptyl ester; oxalic acid Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(CCN(C1)CC)C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCOC(=O)C1=C(CCN(C1)CC)C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H31NO2.C2H2O4/c1-3-5-6-7-11-16-24-21(23)20-17-22(4-2)15-14-19(20)18-12-9-8-10-13-18;3-1(4)2(5)6/h8-10,12-13H,3-7,11,14-17H2,1-2H3;(H,3,4)(H,5,6)