cyclohexyl 4-[(6-iodanylquinazolin-4-yl)amino]benzoate

Systemtic Name: cyclohexyl 4-[(6-iodanylquinazolin-4-yl)amino]benzoate Openeye Name: cyclohexyl 4-[(6-iodoquinazolin-4-yl)amino]benzoate CAS Name: 4-[(6-iodo-4-quinazolinyl)amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(6-iodoquinazolin-4-yl)amino]benzoate Traditional Name: 4-[(6-iodoquinazolin-4-yl)amino]benzoic acid cyclohexyl ester Formula: C21H20IN3O2 MolecularWeight: 473.30687

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)I

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)I

InChI

InChI=1S/C21H20IN3O2/c22-15-8-11-19-18(12-15)20(24-13-23-19)25-16-9-6-14(7-10-16)21(26)27-17-4-2-1-3-5-17/h6-13,17H,1-5H2,(H,23,24,25)