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

Systemtic Name: [4-(6-cyclopentylhexyl)-3-phenyl-2-pyrimidin-2-yl-phenyl] 2-chloranyl-3-methyl-butanoate Openeye Name: [4-(6-cyclopentylhexyl)-3-phenyl-2-pyrimidin-2-yl-phenyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic 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-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [4-(6-cyclopentylhexyl)-3-phenyl-2-(2-pyrimidyl)phenyl] ester Formula: C32H39ClN2O2 MolecularWeight: 519.11726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H39ClN2O2/c1-23(2)30(33)32(36)37-27-20-19-26(18-7-4-3-6-13-24-14-10-11-15-24)28(25-16-8-5-9-17-25)29(27)31-34-21-12-22-35-31/h5,8-9,12,16-17,19-24,30H,3-4,6-7,10-11,13-15,18H2,1-2H3