[4-[5-(4-hexoxyphenyl)pyrimidin-2-yl]phenyl] 2-chloranyl-3-methyl-butanoate

Systemtic Name: [4-[5-(4-hexoxyphenyl)pyrimidin-2-yl]phenyl] 2-chloranyl-3-methyl-butanoate Openeye Name: [4-[5-(4-hexoxyphenyl)pyrimidin-2-yl]phenyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic acid [4-[5-(4-hexoxyphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-hexoxyphenyl)pyrimidin-2-yl]phenyl] 2-chloro-3-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [4-[5-(4-hexoxyphenyl)pyrimidin-2-yl]phenyl] ester Formula: C27H31ClN2O3 MolecularWeight: 466.99964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl

InChI

InChI=1S/C27H31ClN2O3/c1-4-5-6-7-16-32-23-12-8-20(9-13-23)22-17-29-26(30-18-22)21-10-14-24(15-11-21)33-27(31)25(28)19(2)3/h8-15,17-19,25H,4-7,16H2,1-3H3