2-[[2-(cyclohexylmethoxy)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 2-[[2-(cyclohexylmethoxy)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-(cyclohexylmethoxy)pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[2-(cyclohexylmethoxy)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[2-(cyclohexylmethoxy)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-(cyclohexylmethoxy)pyrimidin-4-yl]amino]benzoic acid Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=NC=CC(=N2)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCC(CC1)COC2=NC=CC(=N2)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H21N3O3/c22-17(23)14-8-4-5-9-15(14)20-16-10-11-19-18(21-16)24-12-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2,(H,22,23)(H,19,20,21)