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

Systemtic Name: 4-[(2-propan-2-ylquinazolin-4-yl)amino]benzoic acid Openeye Name: 4-[(2-isopropylquinazolin-4-yl)amino]benzoic acid CAS Name: 4-[(2-propan-2-yl-4-quinazolinyl)amino]benzoic acid IUPAC Name: 4-[(2-propan-2-ylquinazolin-4-yl)amino]benzoic acid Traditional Name: 4-[(2-isopropylquinazolin-4-yl)amino]benzoic acid Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2/c1-11(2)16-20-15-6-4-3-5-14(15)17(21-16)19-13-9-7-12(8-10-13)18(22)23/h3-11H,1-2H3,(H,22,23)(H,19,20,21)