calcium 2-[4-(pyridin-2-ylamino)phenyl]propanoate

Systemtic Name: calcium 2-[4-(pyridin-2-ylamino)phenyl]propanoate Openeye Name: calcium 2-[4-(2-pyridylamino)phenyl]propanoate CAS Name: calcium 2-[4-(2-pyridinylamino)phenyl]propanoate IUPAC Name: calcium 2-[4-(pyridin-2-ylamino)phenyl]propanoate Traditional Name: calcium 2-[4-(2-pyridylamino)phenyl]propionate Formula: C14H13CaN2O2+ MolecularWeight: 281.34322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC2=CC=CC=N2)C(=O)[O-].[Ca+2]

Isomeric SMILES

CC(C1=CC=C(C=C1)NC2=CC=CC=N2)C(=O)[O-].[Ca+2]

InChI

InChI=1S/C14H14N2O2.Ca/c1-10(14(17)18)11-5-7-12(8-6-11)16-13-4-2-3-9-15-13;/h2-10H,1H3,(H,15,16)(H,17,18);/q;+2/p-1