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

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-(3,4-dimethylphenyl)carbonylbenzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-(3,4-dimethylbenzoyl)benzoate CAS Name: 2-[(3,4-dimethylphenyl)-oxomethyl]benzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-(3,4-dimethylbenzoyl)benzoate Traditional Name: 2-(3,4-dimethylbenzoyl)benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)C

InChI

InChI=1S/C25H21N3O3/c1-15-11-12-17(13-16(15)2)23(29)18-7-3-4-8-19(18)25(30)31-14-22-27-21-10-6-5-9-20(21)24(26)28-22/h3-13H,14H2,1-2H3,(H2,26,27,28)