3-[(7-chloranyl-2-ethyl-quinazolin-4-yl)-cyclohexyl-amino]propanoic acid

Systemtic Name: 3-[(7-chloranyl-2-ethyl-quinazolin-4-yl)-cyclohexyl-amino]propanoic acid Openeye Name: 3-[(7-chloro-2-ethyl-quinazolin-4-yl)-cyclohexyl-amino]propanoic acid CAS Name: 3-[(7-chloro-2-ethyl-4-quinazolinyl)-cyclohexylamino]propanoic acid IUPAC Name: 3-[(7-chloro-2-ethylquinazolin-4-yl)-cyclohexylamino]propanoic acid Traditional Name: 3-[(7-chloro-2-ethyl-quinazolin-4-yl)-cyclohexyl-amino]propionic acid Formula: C19H24ClN3O2 MolecularWeight: 361.86576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)Cl)C(=N1)N(CCC(=O)O)C3CCCCC3

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)Cl)C(=N1)N(CCC(=O)O)C3CCCCC3

InChI

InChI=1S/C19H24ClN3O2/c1-2-17-21-16-12-13(20)8-9-15(16)19(22-17)23(11-10-18(24)25)14-6-4-3-5-7-14/h8-9,12,14H,2-7,10-11H2,1H3,(H,24,25)