[4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [4-[(E)-2-(2-acetamido-4-pyridyl)vinyl]phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [4-[(E)-2-(2-acetamido-4-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-(2-acetamidopyridin-4-yl)ethenyl]phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [4-[(E)-2-(2-acetamido-4-pyridyl)vinyl]phenyl] ester Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3/c1-3-4-5-20-8-12-23(13-9-20)26(30)31-24-14-10-21(11-15-24)6-7-22-16-17-27-25(18-22)28-19(2)29/h6-7,10-11,14-18,20,23H,3-5,8-9,12-13H2,1-2H3,(H,27,28,29)/b7-6+