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

Systemtic Name: [2-methoxy-4-[(E)-2-pyridin-2-ylethenyl]phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [2-methoxy-4-[(E)-2-(2-pyridyl)vinyl]phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [2-methoxy-4-[(E)-2-(2-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-pyridin-2-ylethenyl]phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [2-methoxy-4-[(E)-2-(2-pyridyl)vinyl]phenyl] ester Formula: C25H31NO3 MolecularWeight: 393.51854

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO3/c1-3-4-7-19-9-13-21(14-10-19)25(27)29-23-16-12-20(18-24(23)28-2)11-15-22-8-5-6-17-26-22/h5-6,8,11-12,15-19,21H,3-4,7,9-10,13-14H2,1-2H3/b15-11+