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

Systemtic Name: 3-[(2-pentan-3-ylquinazolin-4-yl)amino]benzoic acid Openeye Name: 3-[[2-(1-ethylpropyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 3-[(2-pentan-3-yl-4-quinazolinyl)amino]benzoic acid IUPAC Name: 3-[(2-pentan-3-ylquinazolin-4-yl)amino]benzoic acid Traditional Name: 3-[[2-(1-ethylpropyl)quinazolin-4-yl]amino]benzoic acid Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NC2=CC=CC=C2C(=N1)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCC(CC)C1=NC2=CC=CC=C2C(=N1)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H21N3O2/c1-3-13(4-2)18-22-17-11-6-5-10-16(17)19(23-18)21-15-9-7-8-14(12-15)20(24)25/h5-13H,3-4H2,1-2H3,(H,24,25)(H,21,22,23)