4-[2-[(3-cyanophenoxy)-pyridin-3-yl-amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[2-[(3-cyanophenoxy)-pyridin-3-yl-amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[2-[(3-cyanophenoxy)-(3-pyridyl)amino]-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 4-[2-[(3-cyanophenoxy)-(3-pyridinyl)amino]-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[2-[(3-cyanophenoxy)-pyridin-3-ylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[2-[(3-cyanophenoxy)-(3-pyridyl)amino]-2-keto-ethyl]cyclohexanecarboxylic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CC(=O)N(C2=CN=CC=C2)OC3=CC=CC(=C3)C#N)C(=O)O

Isomeric SMILES

C1CC(CCC1CC(=O)N(C2=CN=CC=C2)OC3=CC=CC(=C3)C#N)C(=O)O

InChI

InChI=1S/C21H21N3O4/c22-13-16-3-1-5-19(11-16)28-24(18-4-2-10-23-14-18)20(25)12-15-6-8-17(9-7-15)21(26)27/h1-5,10-11,14-15,17H,6-9,12H2,(H,26,27)