2-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzoic acid

Systemtic Name: 2-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzoic acid Openeye Name: 2-[[4-(2-naphthyl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 2-[[4-(2-naphthalenyl)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]benzoic acid Traditional Name: 2-[[4-(2-naphthyl)pyrimidin-2-yl]amino]benzoic acid Formula: C21H15N3O2 MolecularWeight: 341.3627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=NC(=NC=C3)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NC(=NC=C3)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H15N3O2/c25-20(26)17-7-3-4-8-19(17)24-21-22-12-11-18(23-21)16-10-9-14-5-1-2-6-15(14)13-16/h1-13H,(H,25,26)(H,22,23,24)