4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzoic acid Openeye Name: 4-[[[2-(3-pyridyl)quinazolin-4-yl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(3-pyridinyl)-4-quinazolinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzoic acid Traditional Name: 4-[[[2-(3-pyridyl)quinazolin-4-yl]amino]methyl]benzoic acid Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H16N4O2/c26-21(27)15-9-7-14(8-10-15)12-23-20-17-5-1-2-6-18(17)24-19(25-20)16-4-3-11-22-13-16/h1-11,13H,12H2,(H,26,27)(H,23,24,25)