ethyl 2-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]benzoate

Systemtic Name: ethyl 2-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]benzoate Openeye Name: ethyl 2-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]benzoate CAS Name: 2-[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]benzoate Traditional Name: 2-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]benzoic acid ethyl ester Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC

InChI

InChI=1S/C26H21N3O3/c1-4-17-9-8-10-18(13-17)29-25-22-14-21(24(31-3)15-23(22)27-16-28-25)19-11-6-7-12-20(19)26(30)32-5-2/h1,6-16H,5H2,2-3H3,(H,27,28,29)