7-[[4-[(3-ethynyl-4-oxidanyl-phenyl)amino]-7-oxidanylidene-1H-quinazolin-6-yl]oxy]heptanoic acid

Systemtic Name: 7-[[4-[(3-ethynyl-4-oxidanyl-phenyl)amino]-7-oxidanylidene-1H-quinazolin-6-yl]oxy]heptanoic acid Openeye Name: 7-[[4-(3-ethynyl-4-hydroxy-anilino)-7-oxo-1H-quinazolin-6-yl]oxy]heptanoic acid CAS Name: 7-[[4-(3-ethynyl-4-hydroxyanilino)-7-oxo-1H-quinazolin-6-yl]oxy]heptanoic acid IUPAC Name: 7-[[4-(3-ethynyl-4-hydroxyanilino)-7-oxo-1H-quinazolin-6-yl]oxy]heptanoic acid Traditional Name: 7-[[4-(3-ethynyl-4-hydroxy-anilino)-7-keto-1H-quinazolin-6-yl]oxy]enanthic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=CC(=C1)NC2=C3C=C(C(=O)C=C3NC=N2)OCCCCCCC(=O)O)O

Isomeric SMILES

C#CC1=C(C=CC(=C1)NC2=C3C=C(C(=O)C=C3NC=N2)OCCCCCCC(=O)O)O

InChI

InChI=1S/C23H23N3O5/c1-2-15-11-16(8-9-19(15)27)26-23-17-12-21(20(28)13-18(17)24-14-25-23)31-10-6-4-3-5-7-22(29)30/h1,8-9,11-14,26-27H,3-7,10H2,(H,24,25)(H,29,30)