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

Systemtic Name: 4-[[(2-propan-2-ylquinazolin-4-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(2-isopropylquinazolin-4-yl)amino]methyl]benzoic acid CAS Name: 4-[[(2-propan-2-yl-4-quinazolinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2-propan-2-ylquinazolin-4-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-isopropylquinazolin-4-yl)amino]methyl]benzoic acid Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=N1)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=N1)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H19N3O2/c1-12(2)17-21-16-6-4-3-5-15(16)18(22-17)20-11-13-7-9-14(10-8-13)19(23)24/h3-10,12H,11H2,1-2H3,(H,23,24)(H,20,21,22)