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

Systemtic Name: [2-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-butoxypropanoate Openeye Name: [2-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid [2-(1-hexyl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl] ester IUPAC Name: [2-(1-hexyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [2-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] ester Formula: C29H38N2O3 MolecularWeight: 462.62362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCC

Isomeric SMILES

CCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCC

InChI

InChI=1S/C29H38N2O3/c1-4-6-8-12-17-29(18-15-25(16-19-29)24-13-10-9-11-14-24)28-30-21-26(22-31-28)34-27(32)23(3)33-20-7-5-2/h9-11,13-16,18-19,21-23,25H,4-8,12,17,20H2,1-3H3