2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-5-methoxy-benzoic acid

Systemtic Name: 2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-5-methoxy-benzoic acid Openeye Name: 2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-5-methoxy-benzoic acid CAS Name: 2-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]-5-methoxybenzoic acid IUPAC Name: 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-5-methoxybenzoic acid Traditional Name: 2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-5-methoxy-benzoic acid Formula: C18H16ClN3O5 MolecularWeight: 389.78974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)Cl)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)Cl)C(=O)O

InChI

InChI=1S/C18H16ClN3O5/c1-25-9-4-5-12(11(6-9)17(23)24)20-16-10-7-14(26-2)15(27-3)8-13(10)21-18(19)22-16/h4-8H,1-3H3,(H,23,24)(H,20,21,22)