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

Systemtic Name: 4-[(2-pentan-3-ylquinazolin-4-yl)amino]benzoate Openeye Name: 4-[[2-(1-ethylpropyl)quinazolin-4-yl]amino]benzoate CAS Name: 4-[(2-pentan-3-yl-4-quinazolinyl)amino]benzoate IUPAC Name: 4-[(2-pentan-3-ylquinazolin-4-yl)amino]benzoate Traditional Name: 4-[[2-(1-ethylpropyl)quinazolin-4-yl]amino]benzoate Formula: C20H20N3O2- MolecularWeight: 334.3917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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