[2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-butoxypropanoate

Systemtic Name: [2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-butoxypropanoate Openeye Name: [2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid [2-(1-octyl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl] ester IUPAC Name: [2-(1-octyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] ester Formula: C31H42N2O3 MolecularWeight: 490.67678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCC

Isomeric SMILES

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCC

InChI

InChI=1S/C31H42N2O3/c1-4-6-8-9-10-14-19-31(20-17-27(18-21-31)26-15-12-11-13-16-26)30-32-23-28(24-33-30)36-29(34)25(3)35-22-7-5-2/h11-13,15-18,20-21,23-25,27H,4-10,14,19,22H2,1-3H3