[4-(5-heptylpyrimidin-2-yl)phenyl] 3-chloranyl-4-hexoxy-benzoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-chloranyl-4-hexoxy-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-chloro-4-hexoxy-benzoate CAS Name: 3-chloro-4-hexoxybenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-chloro-4-hexoxybenzoate Traditional Name: 3-chloro-4-hexoxy-benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C30H37ClN2O3 MolecularWeight: 509.07938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCC)Cl

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCC)Cl

InChI

InChI=1S/C30H37ClN2O3/c1-3-5-7-9-10-12-23-21-32-29(33-22-23)24-13-16-26(17-14-24)36-30(34)25-15-18-28(27(31)20-25)35-19-11-8-6-4-2/h13-18,20-22H,3-12,19H2,1-2H3