azane; 2-[2-(3-methylpyridin-2-yl)phenyl]carbonylheptanoic acid

Systemtic Name: azane; 2-[2-(3-methylpyridin-2-yl)phenyl]carbonylheptanoic acid Openeye Name: ammonia; 2-[2-(3-methyl-2-pyridyl)benzoyl]heptanoic acid CAS Name: ammonia; 2-[[2-(3-methyl-2-pyridinyl)phenyl]-oxomethyl]heptanoic acid IUPAC Name: azane; 2-[2-(3-methylpyridin-2-yl)benzoyl]heptanoic acid Traditional Name: ammonia; 2-[2-(3-methyl-2-pyridyl)benzoyl]enanthic acid Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)C1=CC=CC=C1C2=C(C=CC=N2)C)C(=O)O.N

Isomeric SMILES

CCCCCC(C(=O)C1=CC=CC=C1C2=C(C=CC=N2)C)C(=O)O.N

InChI

InChI=1S/C20H23NO3.H3N/c1-3-4-5-12-17(20(23)24)19(22)16-11-7-6-10-15(16)18-14(2)9-8-13-21-18;/h6-11,13,17H,3-5,12H2,1-2H3,(H,23,24);1H3