4-[[[2-(3-ethanoylphenoxy)pyridin-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[2-(3-ethanoylphenoxy)pyridin-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(3-acetylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[[2-(3-acetylphenoxy)-3-pyridinyl]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(3-acetylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(3-acetylphenoxy)nicotinoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OC2=C(C=CC=N2)C(=O)NCC3CCC(CC3)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC2=C(C=CC=N2)C(=O)NCC3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H24N2O5/c1-14(25)17-4-2-5-18(12-17)29-21-19(6-3-11-23-21)20(26)24-13-15-7-9-16(10-8-15)22(27)28/h2-6,11-12,15-16H,7-10,13H2,1H3,(H,24,26)(H,27,28)