5-[(2-propan-2-ylquinazolin-4-yl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(2-propan-2-ylquinazolin-4-yl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(2-isopropylquinazolin-4-yl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(2-propan-2-yl-4-quinazolinyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(2-propan-2-ylquinazolin-4-yl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(2-isopropylquinazolin-4-yl)amino]isophthalic acid Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4/c1-10(2)16-21-15-6-4-3-5-14(15)17(22-16)20-13-8-11(18(23)24)7-12(9-13)19(25)26/h3-10H,1-2H3,(H,23,24)(H,25,26)(H,20,21,22)