5-[4-[(3-ethynyl-4-oxidanyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypentanoic acid

Systemtic Name: 5-[4-[(3-ethynyl-4-oxidanyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypentanoic acid Openeye Name: 5-[4-(3-ethynyl-4-hydroxy-anilino)-7-methoxy-quinazolin-6-yl]oxypentanoic acid CAS Name: 5-[[4-(3-ethynyl-4-hydroxyanilino)-7-methoxy-6-quinazolinyl]oxy]pentanoic acid IUPAC Name: 5-[4-(3-ethynyl-4-hydroxyanilino)-7-methoxyquinazolin-6-yl]oxypentanoic acid Traditional Name: 5-[4-(3-ethynyl-4-hydroxy-anilino)-7-methoxy-quinazolin-6-yl]oxyvaleric acid Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)O)C#C)OCCCCC(=O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)O)C#C)OCCCCC(=O)O

InChI

InChI=1S/C22H21N3O5/c1-3-14-10-15(7-8-18(14)26)25-22-16-11-20(30-9-5-4-6-21(27)28)19(29-2)12-17(16)23-13-24-22/h1,7-8,10-13,26H,4-6,9H2,2H3,(H,27,28)(H,23,24,25)