(4-azanylquinazolin-2-yl)methyl 4-butoxy-3-ethoxy-benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 4-butoxy-3-ethoxy-benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)OCC

InChI

InChI=1S/C22H25N3O4/c1-3-5-12-28-18-11-10-15(13-19(18)27-4-2)22(26)29-14-20-24-17-9-7-6-8-16(17)21(23)25-20/h6-11,13H,3-5,12,14H2,1-2H3,(H2,23,24,25)