[4-(6-cyclopentylhexyl)-3-phenyl-2-pyrimidin-2-yl-phenyl] 2-chloranyl-3-methyl-pentanoate

Systemtic Name: [4-(6-cyclopentylhexyl)-3-phenyl-2-pyrimidin-2-yl-phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-(6-cyclopentylhexyl)-3-phenyl-2-pyrimidin-2-yl-phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-(6-cyclopentylhexyl)-3-phenyl-2-(2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(6-cyclopentylhexyl)-3-phenyl-2-pyrimidin-2-ylphenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-(6-cyclopentylhexyl)-3-phenyl-2-(2-pyrimidyl)phenyl] ester Formula: C33H41ClN2O2 MolecularWeight: 533.14384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=C(C(=C(C=C1)CCCCCCC2CCCC2)C3=CC=CC=C3)C4=NC=CC=N4)Cl

Isomeric SMILES

CCC(C)C(C(=O)OC1=C(C(=C(C=C1)CCCCCCC2CCCC2)C3=CC=CC=C3)C4=NC=CC=N4)Cl

InChI

InChI=1S/C33H41ClN2O2/c1-3-24(2)31(34)33(37)38-28-21-20-27(19-8-5-4-7-14-25-15-11-12-16-25)29(26-17-9-6-10-18-26)30(28)32-35-22-13-23-36-32/h6,9-10,13,17-18,20-25,31H,3-5,7-8,11-12,14-16,19H2,1-2H3