phenyl 2-chloranyl-4-(5-heptylpyrimidin-2-yl)pentanoate

Systemtic Name: phenyl 2-chloranyl-4-(5-heptylpyrimidin-2-yl)pentanoate Openeye Name: phenyl 2-chloro-4-(5-heptylpyrimidin-2-yl)pentanoate CAS Name: 2-chloro-4-(5-heptyl-2-pyrimidinyl)pentanoic acid phenyl ester IUPAC Name: phenyl 2-chloro-4-(5-heptylpyrimidin-2-yl)pentanoate Traditional Name: 2-chloro-4-(5-heptylpyrimidin-2-yl)valeric acid phenyl ester Formula: C22H29ClN2O2 MolecularWeight: 388.93086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C(C)CC(C(=O)OC2=CC=CC=C2)Cl

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C(C)CC(C(=O)OC2=CC=CC=C2)Cl

InChI

InChI=1S/C22H29ClN2O2/c1-3-4-5-6-8-11-18-15-24-21(25-16-18)17(2)14-20(23)22(26)27-19-12-9-7-10-13-19/h7,9-10,12-13,15-17,20H,3-6,8,11,14H2,1-2H3