2-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]benzoic acid

Systemtic Name: 2-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]benzoic acid Openeye Name: 2-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]benzoic acid CAS Name: 2-[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]benzoic acid IUPAC Name: 2-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]benzoic acid Traditional Name: 2-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]benzoic acid Formula: C24H17N3O3 MolecularWeight: 395.41008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)C4=CC=CC=C4C(=O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C24H17N3O3/c1-3-15-7-6-8-16(11-15)27-23-20-12-19(17-9-4-5-10-18(17)24(28)29)22(30-2)13-21(20)25-14-26-23/h1,4-14H,2H3,(H,28,29)(H,25,26,27)