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

Systemtic Name: [2-methoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [2-methoxy-4-[(E)-2-(4-pyridyl)vinyl]phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [2-methoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [2-methoxy-4-[(E)-2-(4-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=NC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO3/c1-3-4-5-19-8-11-22(12-9-19)25(27)29-23-13-10-21(18-24(23)28-2)7-6-20-14-16-26-17-15-20/h6-7,10,13-19,22H,3-5,8-9,11-12H2,1-2H3/b7-6+