5-chloranyl-4-[(6-ethylquinazolin-4-yl)amino]-2-methoxy-benzoic acid

Systemtic Name: 5-chloranyl-4-[(6-ethylquinazolin-4-yl)amino]-2-methoxy-benzoic acid Openeye Name: 5-chloro-4-[(6-ethylquinazolin-4-yl)amino]-2-methoxy-benzoic acid CAS Name: 5-chloro-4-[(6-ethyl-4-quinazolinyl)amino]-2-methoxybenzoic acid IUPAC Name: 5-chloro-4-[(6-ethylquinazolin-4-yl)amino]-2-methoxybenzoic acid Traditional Name: 5-chloro-4-[(6-ethylquinazolin-4-yl)amino]-2-methoxy-benzoic acid Formula: C18H16ClN3O3 MolecularWeight: 357.79094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=CN=C2NC3=C(C=C(C(=C3)OC)C(=O)O)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)N=CN=C2NC3=C(C=C(C(=C3)OC)C(=O)O)Cl

InChI

InChI=1S/C18H16ClN3O3/c1-3-10-4-5-14-11(6-10)17(21-9-20-14)22-15-8-16(25-2)12(18(23)24)7-13(15)19/h4-9H,3H2,1-2H3,(H,23,24)(H,20,21,22)