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

Systemtic Name: ethyl 7-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]oxyheptanoate Openeye Name: ethyl 7-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]oxyheptanoate CAS Name: 7-[[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]oxy]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxyheptanoate Traditional Name: 7-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]oxyenanthic acid ethyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OC

Isomeric SMILES

CCOC(=O)CCCCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OC

InChI

InChI=1S/C26H29N3O4/c1-4-19-11-10-12-20(15-19)29-26-21-16-24(23(31-3)17-22(21)27-18-28-26)33-14-9-7-6-8-13-25(30)32-5-2/h1,10-12,15-18H,5-9,13-14H2,2-3H3,(H,27,28,29)