ethanedioic acid; ethyl 6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-yl-prop-1-enyl]pyridine-2-carboxylate

Systemtic Name: ethanedioic acid; ethyl 6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-yl-prop-1-enyl]pyridine-2-carboxylate Openeye Name: ethyl 6-[(E)-1-(p-tolyl)-3-pyrrolidin-1-yl-prop-1-enyl]pyridine-2-carboxylate; oxalic acid CAS Name: 6-[(E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)prop-1-enyl]-2-pyridinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine-2-carboxylate; oxalic acid Traditional Name: oxalic acid; 6-[(E)-1-(p-tolyl)-3-pyrrolidino-prop-1-enyl]picolinic acid ethyl ester Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=N1)C(=CCN2CCCC2)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=CC=CC(=N1)/C(=C/CN2CCCC2)/C3=CC=C(C=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H26N2O2.C2H2O4/c1-3-26-22(25)21-8-6-7-20(23-21)19(13-16-24-14-4-5-15-24)18-11-9-17(2)10-12-18;3-1(4)2(5)6/h6-13H,3-5,14-16H2,1-2H3;(H,3,4)(H,5,6)/b19-13+;