[4-(5-hexylpyrimidin-2-yl)phenyl] 3-chloranyl-4-heptyl-benzoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-chloranyl-4-heptyl-benzoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-chloro-4-heptyl-benzoate CAS Name: 3-chloro-4-heptylbenzoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-chloro-4-heptylbenzoate Traditional Name: 3-chloro-4-heptyl-benzoic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C30H37ClN2O2 MolecularWeight: 493.07998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)Cl

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)Cl

InChI

InChI=1S/C30H37ClN2O2/c1-3-5-7-9-11-13-24-14-15-26(20-28(24)31)30(34)35-27-18-16-25(17-19-27)29-32-21-23(22-33-29)12-10-8-6-4-2/h14-22H,3-13H2,1-2H3