1-[(3-ethynylphenyl)amino]-2-[6-(2-methoxyethoxy)quinazolin-7-yl]oxy-ethanol

Systemtic Name: 1-[(3-ethynylphenyl)amino]-2-[6-(2-methoxyethoxy)quinazolin-7-yl]oxy-ethanol Openeye Name: 1-(3-ethynylanilino)-2-[6-(2-methoxyethoxy)quinazolin-7-yl]oxy-ethanol CAS Name: 1-(3-ethynylanilino)-2-[[6-(2-methoxyethoxy)-7-quinazolinyl]oxy]ethanol IUPAC Name: 1-(3-ethynylanilino)-2-[6-(2-methoxyethoxy)quinazolin-7-yl]oxyethanol Traditional Name: 1-(3-ethynylanilino)-2-[6-(2-methoxyethoxy)quinazolin-7-yl]oxy-ethanol Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C2C(=C1)C=NC=N2)OCC(NC3=CC=CC(=C3)C#C)O

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)C=NC=N2)OCC(NC3=CC=CC(=C3)C#C)O

InChI

InChI=1S/C21H21N3O4/c1-3-15-5-4-6-17(9-15)24-21(25)13-28-20-11-18-16(12-22-14-23-18)10-19(20)27-8-7-26-2/h1,4-6,9-12,14,21,24-25H,7-8,13H2,2H3