2-[4-[[[2-(3-cyanophenoxy)pyridin-3-yl]carbonylamino]methyl]cyclohex-3-en-1-yl]oxyethanoic acid

Systemtic Name: 2-[4-[[[2-(3-cyanophenoxy)pyridin-3-yl]carbonylamino]methyl]cyclohex-3-en-1-yl]oxyethanoic acid Openeye Name: 2-[4-[[[2-(3-cyanophenoxy)pyridine-3-carbonyl]amino]methyl]cyclohex-3-en-1-yl]oxyacetic acid CAS Name: 2-[[4-[[[[2-(3-cyanophenoxy)-3-pyridinyl]-oxomethyl]amino]methyl]-1-cyclohex-3-enyl]oxy]acetic acid IUPAC Name: 2-[4-[[[2-(3-cyanophenoxy)pyridine-3-carbonyl]amino]methyl]cyclohex-3-en-1-yl]oxyacetic acid Traditional Name: 2-[4-[[[2-(3-cyanophenoxy)nicotinoyl]amino]methyl]cyclohex-3-en-1-yl]oxyacetic acid Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CCC1OCC(=O)O)CNC(=O)C2=C(N=CC=C2)OC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CC(=CCC1OCC(=O)O)CNC(=O)C2=C(N=CC=C2)OC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H21N3O5/c23-12-16-3-1-4-18(11-16)30-22-19(5-2-10-24-22)21(28)25-13-15-6-8-17(9-7-15)29-14-20(26)27/h1-6,10-11,17H,7-9,13-14H2,(H,25,28)(H,26,27)