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

Systemtic Name: 7-[[4-[(3-ethynylphenyl)amino]-7-oxidanylidene-1H-quinazolin-6-yl]oxy]heptanoic acid Openeye Name: 7-[[4-(3-ethynylanilino)-7-oxo-1H-quinazolin-6-yl]oxy]heptanoic acid CAS Name: 7-[[4-(3-ethynylanilino)-7-oxo-1H-quinazolin-6-yl]oxy]heptanoic acid IUPAC Name: 7-[[4-(3-ethynylanilino)-7-oxo-1H-quinazolin-6-yl]oxy]heptanoic acid Traditional Name: 7-[[4-(3-ethynylanilino)-7-keto-1H-quinazolin-6-yl]oxy]enanthic acid Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4/c1-2-16-8-7-9-17(12-16)26-23-18-13-21(20(27)14-19(18)24-15-25-23)30-11-6-4-3-5-10-22(28)29/h1,7-9,12-15,26H,3-6,10-11H2,(H,24,25)(H,28,29)