(4-azanylquinazolin-2-yl)methyl 2-(3,4-diethoxyphenyl)carbonylbenzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-(3,4-diethoxyphenyl)carbonylbenzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-(3,4-diethoxybenzoyl)benzoate CAS Name: 2-[(3,4-diethoxyphenyl)-oxomethyl]benzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-(3,4-diethoxybenzoyl)benzoate Traditional Name: 2-(3,4-diethoxybenzoyl)benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)OCC

InChI

InChI=1S/C27H25N3O5/c1-3-33-22-14-13-17(15-23(22)34-4-2)25(31)18-9-5-6-10-19(18)27(32)35-16-24-29-21-12-8-7-11-20(21)26(28)30-24/h5-15H,3-4,16H2,1-2H3,(H2,28,29,30)