[4-(2-octoxypyrimidin-5-yl)phenyl] 3-chloranyl-2-methyl-undecanoate

Systemtic Name: [4-(2-octoxypyrimidin-5-yl)phenyl] 3-chloranyl-2-methyl-undecanoate Openeye Name: [4-(2-octoxypyrimidin-5-yl)phenyl] 3-chloro-2-methyl-undecanoate CAS Name: 3-chloro-2-methylundecanoic acid [4-(2-octoxy-5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(2-octoxypyrimidin-5-yl)phenyl] 3-chloro-2-methylundecanoate Traditional Name: 3-chloro-2-methyl-undecanoic acid [4-(2-octoxypyrimidin-5-yl)phenyl] ester Formula: C30H45ClN2O3 MolecularWeight: 517.1429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(C)C(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)OCCCCCCCC)Cl

Isomeric SMILES

CCCCCCCCC(C(C)C(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)OCCCCCCCC)Cl

InChI

InChI=1S/C30H45ClN2O3/c1-4-6-8-10-12-14-16-28(31)24(3)29(34)36-27-19-17-25(18-20-27)26-22-32-30(33-23-26)35-21-15-13-11-9-7-5-2/h17-20,22-24,28H,4-16,21H2,1-3H3