4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]benzoic acid

Systemtic Name: 4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]benzoic acid Openeye Name: 4-[4-(4-morpholinophenyl)pyrimidin-2-yl]benzoic acid CAS Name: 4-[4-[4-(4-morpholinyl)phenyl]-2-pyrimidinyl]benzoic acid IUPAC Name: 4-[4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]benzoic acid Traditional Name: 4-[4-(4-morpholinophenyl)pyrimidin-2-yl]benzoic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C3=NC(=NC=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C3=NC(=NC=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H19N3O3/c25-21(26)17-3-1-16(2-4-17)20-22-10-9-19(23-20)15-5-7-18(8-6-15)24-11-13-27-14-12-24/h1-10H,11-14H2,(H,25,26)