[4-[5-(3,7-dimethyloctyl)pyrimidin-2-yl]phenyl] 2-chloranyl-3-methyl-butanoate

Systemtic Name: [4-[5-(3,7-dimethyloctyl)pyrimidin-2-yl]phenyl] 2-chloranyl-3-methyl-butanoate Openeye Name: [4-[5-(3,7-dimethyloctyl)pyrimidin-2-yl]phenyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic acid [4-[5-(3,7-dimethyloctyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(3,7-dimethyloctyl)pyrimidin-2-yl]phenyl] 2-chloro-3-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [4-[5-(3,7-dimethyloctyl)pyrimidin-2-yl]phenyl] ester Formula: C25H35ClN2O2 MolecularWeight: 431.0106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C(C)C)Cl

Isomeric SMILES

CC(C)CCCC(C)CCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C(C)C)Cl

InChI

InChI=1S/C25H35ClN2O2/c1-17(2)7-6-8-19(5)9-10-20-15-27-24(28-16-20)21-11-13-22(14-12-21)30-25(29)23(26)18(3)4/h11-19,23H,6-10H2,1-5H3