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

Systemtic Name: ethyl 6-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]oxyhexanoate Openeye Name: ethyl 6-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]oxyhexanoate CAS Name: 6-[[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]oxy]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxyhexanoate Traditional Name: 6-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]oxyhexanoic acid ethyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OC

Isomeric SMILES

CCOC(=O)CCCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OC

InChI

InChI=1S/C25H27N3O4/c1-4-18-10-9-11-19(14-18)28-25-20-15-23(22(30-3)16-21(20)26-17-27-25)32-13-8-6-7-12-24(29)31-5-2/h1,9-11,14-17H,5-8,12-13H2,2-3H3,(H,26,27,28)