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

Systemtic Name: [2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-pentoxypropanoate Openeye Name: [2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-pentoxypropanoate CAS Name: 2-pentoxypropanoic 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-pentoxypropanoate Traditional Name: 2-amoxypropionic acid [2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] ester Formula: C32H44N2O3 MolecularWeight: 504.70336

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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)OCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C32H44N2O3/c1-4-6-8-9-10-14-20-32(21-18-28(19-22-32)27-16-12-11-13-17-27)31-33-24-29(25-34-31)37-30(35)26(3)36-23-15-7-5-2/h11-13,16-19,21-22,24-26,28H,4-10,14-15,20,23H2,1-3H3