[2-ethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [2-ethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [2-ethoxy-4-[(E)-2-(4-pyridyl)vinyl]phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [2-ethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [2-ethoxy-4-[(E)-2-(4-pyridyl)vinyl]phenyl] ester Formula: C26H33NO3 MolecularWeight: 407.54512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=C(C=C(C=C2)C=CC3=CC=NC=C3)OCC

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=C(C=C(C=C2)/C=C/C3=CC=NC=C3)OCC

InChI

InChI=1S/C26H33NO3/c1-3-5-6-20-9-12-23(13-10-20)26(28)30-24-14-11-22(19-25(24)29-4-2)8-7-21-15-17-27-18-16-21/h7-8,11,14-20,23H,3-6,9-10,12-13H2,1-2H3/b8-7+