3-[3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzoic acid

Systemtic Name: 3-[3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzoic acid Openeye Name: 3-[3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzoic acid CAS Name: 3-[3-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]benzoic acid IUPAC Name: 3-[3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzoic acid Traditional Name: 3-[3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzoic acid Formula: C26H21N5O2 MolecularWeight: 435.47724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=C(C=C4)C5=CC(=CC=C5)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=C(C=C4)C5=CC(=CC=C5)C(=O)O

InChI

InChI=1S/C26H21N5O2/c1-17(18-6-3-2-4-7-18)29-26-27-13-12-24(30-26)31-16-28-22-11-10-20(15-23(22)31)19-8-5-9-21(14-19)25(32)33/h2-17H,1H3,(H,32,33)(H,27,29,30)