7-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]oxyheptanoic acid

Systemtic Name: 7-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]oxyheptanoic acid Openeye Name: 7-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]oxyheptanoic acid CAS Name: 7-[[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]oxy]heptanoic acid IUPAC Name: 7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxyheptanoic acid Traditional Name: 7-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]oxyenanthic acid Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(30-2)15-20(19)25-16-26-24)31-12-7-5-4-6-11-23(28)29/h1,8-10,13-16H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)