3-[4-(6-azanylpyridin-2-yl)-3-methoxy-phenoxy]pyrrolidine-1-carboxylic acid; pyridin-2-amine

Systemtic Name: 3-[4-(6-azanylpyridin-2-yl)-3-methoxy-phenoxy]pyrrolidine-1-carboxylic acid; pyridin-2-amine Openeye Name: 3-[4-(6-amino-2-pyridyl)-3-methoxy-phenoxy]pyrrolidine-1-carboxylic acid; pyridin-2-amine CAS Name: 3-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]-1-pyrrolidinecarboxylic acid; 2-pyridinamine IUPAC Name: 3-[4-(6-aminopyridin-2-yl)-3-methoxyphenoxy]pyrrolidine-1-carboxylic acid; pyridin-2-amine Traditional Name: 3-[4-(6-amino-2-pyridyl)-3-methoxy-phenoxy]pyrrolidine-1-carboxylic acid; 2-pyridylamine Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OC2CCN(C2)C(=O)O)C3=NC(=CC=C3)N.C1=CC=NC(=C1)N

Isomeric SMILES

COC1=C(C=CC(=C1)OC2CCN(C2)C(=O)O)C3=NC(=CC=C3)N.C1=CC=NC(=C1)N

InChI

InChI=1S/C17H19N3O4.C5H6N2/c1-23-15-9-11(24-12-7-8-20(10-12)17(21)22)5-6-13(15)14-3-2-4-16(18)19-14;6-5-3-1-2-4-7-5/h2-6,9,12H,7-8,10H2,1H3,(H2,18,19)(H,21,22);1-4H,(H2,6,7)