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

Systemtic Name: ethanedioic acid; 2-methylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester; oxalic acid IUPAC Name: 2-methylpropyl 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 isobutyl ester; oxalic acid Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(=C(C1)C(=O)OCC(C)C)C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCC(=C(C1)C(=O)OCC(C)C)C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25NO2.C2H2O4/c1-4-19-11-10-16(15-8-6-5-7-9-15)17(12-19)18(20)21-13-14(2)3;3-1(4)2(5)6/h5-9,14H,4,10-13H2,1-3H3;(H,3,4)(H,5,6)