2-[(2-pentoxypyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 2-[(2-pentoxypyrimidin-4-yl)amino]benzoic acid Openeye Name: 2-[(2-pentoxypyrimidin-4-yl)amino]benzoic acid CAS Name: 2-[(2-pentoxy-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 2-[(2-pentoxypyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-[(2-amoxypyrimidin-4-yl)amino]benzoic acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC=CC(=N1)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCOC1=NC=CC(=N1)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H19N3O3/c1-2-3-6-11-22-16-17-10-9-14(19-16)18-13-8-5-4-7-12(13)15(20)21/h4-5,7-10H,2-3,6,11H2,1H3,(H,20,21)(H,17,18,19)