5-butoxy-2-(5-heptylpyrimidin-2-yl)carbonyloxy-benzoic acid

Systemtic Name: 5-butoxy-2-(5-heptylpyrimidin-2-yl)carbonyloxy-benzoic acid Openeye Name: 5-butoxy-2-(5-heptylpyrimidine-2-carbonyl)oxy-benzoic acid CAS Name: 5-butoxy-2-[(5-heptyl-2-pyrimidinyl)-oxomethoxy]benzoic acid IUPAC Name: 5-butoxy-2-(5-heptylpyrimidine-2-carbonyl)oxybenzoic acid Traditional Name: 5-butoxy-2-(5-heptylpyrimidine-2-carbonyl)oxy-benzoic acid Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C(=O)OC2=C(C=C(C=C2)OCCCC)C(=O)O

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C(=O)OC2=C(C=C(C=C2)OCCCC)C(=O)O

InChI

InChI=1S/C23H30N2O5/c1-3-5-7-8-9-10-17-15-24-21(25-16-17)23(28)30-20-12-11-18(29-13-6-4-2)14-19(20)22(26)27/h11-12,14-16H,3-10,13H2,1-2H3,(H,26,27)