[4-(5-nonylpyrimidin-2-yl)phenyl] 4-(2-chloranyl-3-methyl-butanoyl)oxybenzoate

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-(2-chloranyl-3-methyl-butanoyl)oxybenzoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-(2-chloro-3-methyl-butanoyl)oxybenzoate CAS Name: 4-(2-chloro-3-methyl-1-oxobutoxy)benzoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-(2-chloro-3-methylbutanoyl)oxybenzoate Traditional Name: 4-(2-chloro-3-methyl-butanoyl)oxybenzoic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C31H37ClN2O4 MolecularWeight: 537.08948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl

InChI

InChI=1S/C31H37ClN2O4/c1-4-5-6-7-8-9-10-11-23-20-33-29(34-21-23)24-12-16-26(17-13-24)37-30(35)25-14-18-27(19-15-25)38-31(36)28(32)22(2)3/h12-22,28H,4-11H2,1-3H3