ethanedioic acid; 2-[(E)-1-(4-ethylphenyl)-3-pyrrolidin-1-yl-prop-1-enyl]pyridine

Systemtic Name: ethanedioic acid; 2-[(E)-1-(4-ethylphenyl)-3-pyrrolidin-1-yl-prop-1-enyl]pyridine Openeye Name: 2-[(E)-1-(4-ethylphenyl)-3-pyrrolidin-1-yl-prop-1-enyl]pyridine; oxalic acid CAS Name: 2-[(E)-1-(4-ethylphenyl)-3-(1-pyrrolidinyl)prop-1-enyl]pyridine; oxalic acid IUPAC Name: 2-[(E)-1-(4-ethylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine; oxalic acid Traditional Name: 2-[(E)-1-(4-ethylphenyl)-3-pyrrolidino-prop-1-enyl]pyridine; oxalic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)/C(=C\CN2CCCC2)/C3=CC=CC=N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2.C2H2O4/c1-2-17-8-10-18(11-9-17)19(20-7-3-4-13-21-20)12-16-22-14-5-6-15-22;3-1(4)2(5)6/h3-4,7-13H,2,5-6,14-16H2,1H3;(H,3,4)(H,5,6)/b19-12+;