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

Systemtic Name: 2-[(2-hexoxypyrimidin-4-yl)amino]benzoic acid Openeye Name: 2-[(2-hexoxypyrimidin-4-yl)amino]benzoic acid CAS Name: 2-[(2-hexoxy-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 2-[(2-hexoxypyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-[(2-hexoxypyrimidin-4-yl)amino]benzoic acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NC=CC(=N1)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCCOC1=NC=CC(=N1)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H21N3O3/c1-2-3-4-7-12-23-17-18-11-10-15(20-17)19-14-9-6-5-8-13(14)16(21)22/h5-6,8-11H,2-4,7,12H2,1H3,(H,21,22)(H,18,19,20)