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

Systemtic Name: ethanedioic acid; 2-methylpropyl 6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-yl-prop-1-enyl]pyridine-2-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester; oxalic acid IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C26H32N2O6 MolecularWeight: 468.54208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=NC(=CC=C3)C(=O)OCC(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C\CN2CCCC2)/C3=NC(=CC=C3)C(=O)OCC(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H30N2O2.C2H2O4/c1-18(2)17-28-24(27)23-8-6-7-22(25-23)21(13-16-26-14-4-5-15-26)20-11-9-19(3)10-12-20;3-1(4)2(5)6/h6-13,18H,4-5,14-17H2,1-3H3;(H,3,4)(H,5,6)/b21-13+;