[2-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-chloranyl-3-methyl-pentanoate

Systemtic Name: [2-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [2-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic 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-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [2-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] ester Formula: C28H35ClN2O2 MolecularWeight: 467.0427

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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(C)CC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H35ClN2O2/c1-4-6-7-11-16-28(17-14-23(15-18-28)22-12-9-8-10-13-22)27-30-19-24(20-31-27)33-26(32)25(29)21(3)5-2/h8-10,12-15,17-21,23,25H,4-7,11,16H2,1-3H3