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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=C(C=C(C=C2)C=CC3=CC=CC=N3)OCC

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=C(C=C(C=C2)/C=C/C3=CC=CC=N3)OCC

InChI

InChI=1S/C26H33NO3/c1-3-5-8-20-10-14-22(15-11-20)26(28)30-24-17-13-21(19-25(24)29-4-2)12-16-23-9-6-7-18-27-23/h6-7,9,12-13,16-20,22H,3-5,8,10-11,14-15H2,1-2H3/b16-12+